[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 4-methoxy-3-nitro-benzoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] 4-methoxy-3-nitro-benzoate CAS Name: 4-methoxy-3-nitrobenzoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] 4-methoxy-3-nitrobenzoate Traditional Name: 4-methoxy-3-nitro-benzoic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C17H15N3O8 MolecularWeight: 389.3163

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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(=C(C=C2)OC)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H15N3O8/c1-10-3-5-12(19(23)24)8-13(10)18-16(21)9-28-17(22)11-4-6-15(27-2)14(7-11)20(25)26/h3-8H,9H2,1-2H3,(H,18,21)