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

Systemtic Name: [2-(4-methyl-3-nitro-phenyl)-2-oxidanylidene-ethyl] (E)-3-(3-ethoxy-4-methoxy-phenyl)prop-2-enoate Openeye Name: [2-(4-methyl-3-nitro-phenyl)-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-(4-methyl-3-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-methyl-3-nitrophenyl)-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-(4-methyl-3-nitro-phenyl)ethyl] ester Formula: C21H21NO7 MolecularWeight: 399.39394

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21NO7/c1-4-28-20-11-15(6-9-19(20)27-3)7-10-21(24)29-13-18(23)16-8-5-14(2)17(12-16)22(25)26/h5-12H,4,13H2,1-3H3/b10-7+