Chemical ID: 6412494

c1ccc(c(c1)C=NNC(=O)C2CCCN2C(=O)c3ccc(cc3)[N+](=O)[O-])O
Chemical ID:
6412494
Name [?]:
N-[(2-hydroxyphenyl)methyleneamino]-1-(4-nitrobenzoyl)-pyrrolidine-2-carboxamide
SMILES [?]:
c1ccc(c(c1)C=NNC(=O)C2CCCN2C(=O)c3ccc(cc3)[N+](=O)[O-])O
InChi [?]:
InChI=1/C19H18N4O5/c24-17-6-2-1-4-14(17)12-20-21-18(25)16-5-3-11-22(16)19(26)13-7-9-15(10-8-13)23(27)28/h1-2,4,6-10,12,16,24H,3,5,11H2,(H,21,25)
InChi Info:
AuxInfo=1/1/N:1,2,14,6,13,3,20,24,21,23,15,7,19,5,22,12,4,10,17,8,9,16,25,28,11,18,26,27/E:(7,8)(9,10)(27,28)/CRV:23.5/rA:28cCCCCCCCNNCOCCCCNCOCCCCCCN+OO-O/rB:s1;d2;s3;d4;d1s5;s5;w7;s8;s9;d10;s10;s12;s13;s14;s12s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s22;d25;s25;s4;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N4O5
All Atoms:28
Heavy Atoms:28
Chiral Atoms:1
ZAP Information [?]
Total:3.57363
Area:589.313
Solvation:-11.1592
Coulombic:-62.7764
Bond Count [?]
All:30
Single:20
Double:10
Rotors:7
Chiral:1
Rigid Segments:7
Chemical Properties
Molecular Weight:382.37
H-Bond Donors:2
H-Bond Acceptors:9
XLogP:3.28
LogP (Chemaxon):2.6

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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