[1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [1,2-bis(4-methylphenyl)-2-oxidanylidene-ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-oxo-1,2-bis(p-tolyl)ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [1,2-bis(4-methylphenyl)-2-oxoethyl] ester IUPAC Name: [1,2-bis(4-methylphenyl)-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-keto-1,2-bis(p-tolyl)ethyl] ester Formula: C23H20N2O5 MolecularWeight: 404.4153

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)C(C(=O)C2=CC=C(C=C2)C)OC(=O)C3=CC(=C(C=C3)N)[N+](=O)[O-]

InChI

InChI=1S/C23H20N2O5/c1-14-3-7-16(8-4-14)21(26)22(17-9-5-15(2)6-10-17)30-23(27)18-11-12-19(24)20(13-18)25(28)29/h3-13,22H,24H2,1-2H3