[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C17H15N3O7 MolecularWeight: 373.3169

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O7/c1-10-3-5-13(8-15(10)20(25)26)18-16(21)9-27-17(22)12-4-6-14(19(23)24)11(2)7-12/h3-8H,9H2,1-2H3,(H,18,21)