[2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-[(2-methoxy-5-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(2-methoxy-5-nitro-anilino)-2-oxo-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate CAS Name: (E)-3-(1,3-benzodioxol-5-yl)-2-propenoic acid [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methoxy-5-nitroanilino)-2-oxoethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Traditional Name: (E)-3-(1,3-benzodioxol-5-yl)acrylic acid [2-keto-2-(2-methoxy-5-nitro-anilino)ethyl] ester Formula: C19H16N2O8 MolecularWeight: 400.33894

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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=CC3=C(C=C2)OCO3

Isomeric SMILES

COC1=C(C=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H16N2O8/c1-26-15-6-4-13(21(24)25)9-14(15)20-18(22)10-27-19(23)7-3-12-2-5-16-17(8-12)29-11-28-16/h2-9H,10-11H2,1H3,(H,20,22)/b7-3+