[2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(4-methyl-3-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-anilino)-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [2-(4-methyl-3-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitroanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-keto-2-(4-methyl-3-nitro-anilino)ethyl] ester Formula: C18H15N3O7 MolecularWeight: 385.3276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C18H15N3O7/c1-12-6-8-14(10-16(12)21(26)27)19-17(22)11-28-18(23)9-7-13-4-2-3-5-15(13)20(24)25/h2-10H,11H2,1H3,(H,19,22)/b9-7+