3-[hexadecyl-(4-nitrophenyl)carbonyl-amino]-5-[(4-nitrophenyl)carbonylamino]benzoate

Systemtic Name: 3-[hexadecyl-(4-nitrophenyl)carbonyl-amino]-5-[(4-nitrophenyl)carbonylamino]benzoate Openeye Name: 3-[hexadecyl-(4-nitrobenzoyl)amino]-5-[(4-nitrobenzoyl)amino]benzoate CAS Name: 3-[hexadecyl-[(4-nitrophenyl)-oxomethyl]amino]-5-[[(4-nitrophenyl)-oxomethyl]amino]benzoate IUPAC Name: 3-[hexadecyl-(4-nitrobenzoyl)amino]-5-[(4-nitrobenzoyl)amino]benzoate Traditional Name: 3-[cetyl-(4-nitrobenzoyl)amino]-5-[(4-nitrobenzoyl)amino]benzoate Formula: C37H45N4O8- MolecularWeight: 673.7752

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCCCCCCN(C1=CC(=CC(=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C(=O)[O-])C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C37H46N4O8/c1-2-3-4-5-6-7-8-9-10-11-12-13-14-15-24-39(36(43)29-18-22-33(23-19-29)41(48)49)34-26-30(37(44)45)25-31(27-34)38-35(42)28-16-20-32(21-17-28)40(46)47/h16-23,25-27H,2-15,24H2,1H3,(H,38,42)(H,44,45)/p-1