Chemical ID: 6883664

CCOC(=O)c1ccc(cc1)NC(=O)COC(=O)c2cccc(c2C)[N+](=O)[O-]
Chemical ID:
6883664
Name [?]:
(4-ethoxycarbonylphenyl)carbamoylmethyl 2-methyl-3-nitro-benzoate
SMILES [?]:
CCOC(=O)c1ccc(cc1)NC(=O)COC(=O)c2cccc(c2C)[N+](=O)[O-]
InChi [?]:
InChI=1/C19H18N2O7/c1-3-27-18(23)13-7-9-14(10-8-13)20-17(22)11-28-19(24)15-5-4-6-16(12(15)2)21(25)26/h4-10H,3,11H2,1-2H3,(H,20,22)
InChi Info:
AuxInfo=1/1/N:1,25,2,21,20,22,7,11,8,10,15,24,6,9,19,23,13,4,17,12,26,14,5,18,27,28,3,16/E:(7,8)(9,10)(25,26)/CRV:21.5/rA:28nCCOCOCCCCCCNCOCOCOCCCCCCCN+OO-/rB:s1;s2;s3;d4;s4;s6;d7;s8;d9;d6s10;s9;s12;d13;s13;s15;s16;d17;s17;s19;d20;s21;d22;d19s23;s24;s23;d26;s26;/rC:;;;;;;;;;;;;;;;;;;;;;;;;;;;;

Chemical Details

Atom Count
Formula:C19H18N2O7
All Atoms:46
Heavy Atoms:28
Chiral Atoms:0
ZAP Information [?]
Total:6.45341
Area:621.586
Solvation:-9.08625
Coulombic:-71.7126
Bond Count [?]
All:29
Single:19
Double:10
Rotors:10
Chiral:0
Rigid Segments:8
Chemical Properties
Molecular Weight:386.355
H-Bond Donors:1
H-Bond Acceptors:9
XLogP:3.05
LogP (Chemaxon):2.99

Name Annotations

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Experimental Annotations

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Descriptor Annotations

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