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

Systemtic Name: [2-[(2,3-dimethyl-6-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate Openeye Name: [2-(2,3-dimethyl-6-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-ethoxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-ethoxyphenyl)-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-ethoxyphenyl)prop-2-enoate Traditional Name: (E)-3-p-phenetylacrylic acid [2-(2,3-dimethyl-6-nitro-anilino)-2-keto-ethyl] ester Formula: C21H22N2O6 MolecularWeight: 398.40918

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=CC(=O)OCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C/C(=O)OCC(=O)NC2=C(C=CC(=C2C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N2O6/c1-4-28-17-9-6-16(7-10-17)8-12-20(25)29-13-19(24)22-21-15(3)14(2)5-11-18(21)23(26)27/h5-12H,4,13H2,1-3H3,(H,22,24)/b12-8+