[2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: [2-[(3,4-dimethoxyphenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: [2-(3,4-dimethoxyanilino)-2-oxo-ethyl] (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [2-(3,4-dimethoxyanilino)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethoxyanilino)-2-oxoethyl] (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid [2-(3,4-dimethoxyanilino)-2-keto-ethyl] ester Formula: C17H16N2O8 MolecularWeight: 376.31754

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)NC(=O)COC(=O)C=CC2=CC=C(O2)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C=C1)NC(=O)COC(=O)/C=C/C2=CC=C(O2)[N+](=O)[O-])OC

InChI

InChI=1S/C17H16N2O8/c1-24-13-6-3-11(9-14(13)25-2)18-15(20)10-26-17(21)8-5-12-4-7-16(27-12)19(22)23/h3-9H,10H2,1-2H3,(H,18,20)/b8-5+