[2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(4-nitrophenyl)-2-propenoic acid [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2,3-dimethyl-6-nitroanilino)-2-oxoethyl] (E)-3-(4-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-nitrophenyl)acrylic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C19H17N3O7 MolecularWeight: 399.35418

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O7/c1-12-3-9-16(22(27)28)19(13(12)2)20-17(23)11-29-18(24)10-6-14-4-7-15(8-5-14)21(25)26/h3-10H,11H2,1-2H3,(H,20,23)/b10-6+