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

Systemtic Name: 3-[hexyl-(4-nitrophenyl)carbonyl-amino]-5-[(4-nitrophenyl)carbonylamino]benzoate Openeye Name: 3-[hexyl-(4-nitrobenzoyl)amino]-5-[(4-nitrobenzoyl)amino]benzoate CAS Name: 3-[hexyl-[(4-nitrophenyl)-oxomethyl]amino]-5-[[(4-nitrophenyl)-oxomethyl]amino]benzoate IUPAC Name: 3-[hexyl-(4-nitrobenzoyl)amino]-5-[(4-nitrobenzoyl)amino]benzoate Traditional Name: 3-[hexyl-(4-nitrobenzoyl)amino]-5-[(4-nitrobenzoyl)amino]benzoate Formula: C27H25N4O8- MolecularWeight: 533.5094

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCN(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

CCCCCCN(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/C27H26N4O8/c1-2-3-4-5-14-29(26(33)19-8-12-23(13-9-19)31(38)39)24-16-20(27(34)35)15-21(17-24)28-25(32)18-6-10-22(11-7-18)30(36)37/h6-13,15-17H,2-5,14H2,1H3,(H,28,32)(H,34,35)/p-1