[2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(2-methyl-5-nitro-anilino)-2-oxo-ethyl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate CAS Name: (E)-3-(3-ethoxy-4-methoxyphenyl)-2-propenoic acid [2-(2-methyl-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-5-nitroanilino)-2-oxoethyl] (E)-3-(3-ethoxy-4-methoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(3-ethoxy-4-methoxy-phenyl)acrylic acid [2-keto-2-(2-methyl-5-nitro-anilino)ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=CC(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)OC

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C/C(=O)OCC(=O)NC2=C(C=CC(=C2)[N+](=O)[O-])C)OC

InChI

InChI=1S/C21H22N2O7/c1-4-29-19-11-15(6-9-18(19)28-3)7-10-21(25)30-13-20(24)22-17-12-16(23(26)27)8-5-14(17)2/h5-12H,4,13H2,1-3H3,(H,22,24)/b10-7+