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

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] (E)-3-(4-allyloxyphenyl)prop-2-enoate CAS Name: (E)-3-(4-prop-2-enoxyphenyl)-2-propenoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (E)-3-(4-prop-2-enoxyphenyl)prop-2-enoate Traditional Name: (E)-3-(4-allyloxyphenyl)acrylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C21H20N2O7 MolecularWeight: 412.3927

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)C=CC2=CC=C(C=C2)OCC=C

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC=C(C=C2)OCC=C

InChI

InChI=1S/C21H20N2O7/c1-3-12-29-17-8-4-15(5-9-17)6-11-21(25)30-14-20(24)22-18-13-16(23(26)27)7-10-19(18)28-2/h3-11,13H,1,12,14H2,2H3,(H,22,24)/b11-6+