[2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate

Systemtic Name: [2-[(3,4-diethoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Openeye Name: [2-(3,4-diethoxyanilino)-2-oxo-ethyl] (E)-3-(2-nitrophenyl)prop-2-enoate CAS Name: (E)-3-(2-nitrophenyl)-2-propenoic acid [2-(3,4-diethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-diethoxyanilino)-2-oxoethyl] (E)-3-(2-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(2-nitrophenyl)acrylic acid [2-(3,4-diethoxyanilino)-2-keto-ethyl] ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC=CC=C2[N+](=O)[O-])OCC

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-3-28-18-11-10-16(13-19(18)29-4-2)22-20(24)14-30-21(25)12-9-15-7-5-6-8-17(15)23(26)27/h5-13H,3-4,14H2,1-2H3,(H,22,24)/b12-9+