[2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-(4-nitrophenyl)-2-oxidanylidene-ethyl] 2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(4-nitrophenyl)-2-oxo-ethyl] 2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: 2-acetamido-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(4-nitrophenyl)-2-oxoethyl] ester IUPAC Name: [2-(4-nitrophenyl)-2-oxoethyl] 2-acetamido-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: 2-acetamido-3-(1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(4-nitrophenyl)ethyl] ester Formula: C20H16N2O8 MolecularWeight: 412.34964

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC(=CC1=CC2=C(C=C1)OCO2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC(=CC1=CC2=C(C=C1)OCO2)C(=O)OCC(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H16N2O8/c1-12(23)21-16(8-13-2-7-18-19(9-13)30-11-29-18)20(25)28-10-17(24)14-3-5-15(6-4-14)22(26)27/h2-9H,10-11H2,1H3,(H,21,23)