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2-[hexadecyl-(4-nitrophenyl)carbonyl-carbamoyl]benzoic acid

2-[hexadecyl-(4-nitrophenyl)carbonyl-carbamoyl]benzoic acid

Systemtic Name:2-[hexadecyl-(4-nitrophenyl)carbonyl-carbamoyl]benzoic acid
Openeye Name:2-[hexadecyl-(4-nitrobenzoyl)carbamoyl]benzoic acid
CAS Name:2-[[hexadecyl-[(4-nitrophenyl)-oxomethyl]amino]-oxomethyl]benzoic acid
IUPAC Name:2-[hexadecyl-(4-nitrobenzoyl)carbamoyl]benzoic acid
Traditional Name:2-[cetyl-(4-nitrobenzoyl)carbamoyl]benzoic acid
Formula: C31H42N2O6
MolecularWeight: 538.67498
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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2C(=O)O


Isomeric SMILES

CCCCCCCCCCCCCCCCN(C(=O)C1=CC=C(C=C1)[N+](=O)[O-])C(=O)C2=CC=CC=C2C(=O)O


InChI

InChI=1S/C31H42N2O6/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-17-24-32(29(34)25-20-22-26(23-21-25)33(38)39)30(35)27-18-15-16-19-28(27)31(36)37/h15-16,18-23H,2-14,17,24H2,1H3,(H,36,37)


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