[4-(3-nitrophenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 3-nitrobenzoate

Systemtic Name: [4-(3-nitrophenyl)carbonyloxy-3,6-bis(oxidanylidene)-5-undecyl-cyclohexa-1,4-dien-1-yl] 3-nitrobenzoate Openeye Name: [4-(3-nitrobenzoyl)oxy-3,6-dioxo-5-undecyl-cyclohexa-1,4-dien-1-yl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [4-[(3-nitrophenyl)-oxomethoxy]-3,6-dioxo-5-undecyl-1-cyclohexa-1,4-dienyl] ester IUPAC Name: [4-(3-nitrobenzoyl)oxy-3,6-dioxo-5-undecylcyclohexa-1,4-dien-1-yl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [3,6-diketo-4-(3-nitrobenzoyl)oxy-5-undecyl-cyclohexa-1,4-dien-1-yl] ester Formula: C31H32N2O10 MolecularWeight: 592.59318

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCCC1=C(C(=O)C=C(C1=O)OC(=O)C2=CC(=CC=C2)[N+](=O)[O-])OC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C31H32N2O10/c1-2-3-4-5-6-7-8-9-10-17-25-28(35)27(42-30(36)21-13-11-15-23(18-21)32(38)39)20-26(34)29(25)43-31(37)22-14-12-16-24(19-22)33(40)41/h11-16,18-20H,2-10,17H2,1H3