[2-[2-(3,4-dimethoxyphenyl)ethylamino]-2-oxidanylidene-ethyl] 3-(3-nitrophenyl)prop-2-enoate

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H22N2O7/c1-28-18-8-6-16(13-19(18)29-2)10-11-22-20(24)14-30-21(25)9-7-15-4-3-5-17(12-15)23(26)27/h3-9,12-13H,10-11,14H2,1-2H3,(H,22,24)