[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C16H13N3O7 MolecularWeight: 359.29032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H13N3O7/c1-10-6-7-11(18(22)23)8-13(10)17-15(20)9-26-16(21)12-4-2-3-5-14(12)19(24)25/h2-8H,9H2,1H3,(H,17,20)