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

Systemtic Name: 3-[dodecyl-(4-nitrophenyl)carbonyl-amino]-5-[(4-nitrophenyl)carbonylamino]benzoate Openeye Name: 3-[dodecyl-(4-nitrobenzoyl)amino]-5-[(4-nitrobenzoyl)amino]benzoate CAS Name: 3-[dodecyl-[(4-nitrophenyl)-oxomethyl]amino]-5-[[(4-nitrophenyl)-oxomethyl]amino]benzoate IUPAC Name: 3-[dodecyl-(4-nitrobenzoyl)amino]-5-[(4-nitrobenzoyl)amino]benzoate Traditional Name: 3-[lauryl-(4-nitrobenzoyl)amino]-5-[(4-nitrobenzoyl)amino]benzoate Formula: C33H37N4O8- MolecularWeight: 617.66888

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCN(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

CCCCCCCCCCCCN(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/C33H38N4O8/c1-2-3-4-5-6-7-8-9-10-11-20-35(32(39)25-14-18-29(19-15-25)37(44)45)30-22-26(33(40)41)21-27(23-30)34-31(38)24-12-16-28(17-13-24)36(42)43/h12-19,21-23H,2-11,20H2,1H3,(H,34,38)(H,40,41)/p-1