[2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate

Systemtic Name: [2-[(2-methyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (E)-3-(1,3-benzodioxol-5-yl)prop-2-enoate Openeye Name: [2-(2-methyl-4-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-methyl-4-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(2-methyl-4-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-methyl-4-nitro-anilino)ethyl] ester Formula: C19H16N2O7 MolecularWeight: 384.33954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)C=CC2=CC3=C(C=C2)OCO3

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)COC(=O)/C=C/C2=CC3=C(C=C2)OCO3

InChI

InChI=1S/C19H16N2O7/c1-12-8-14(21(24)25)4-5-15(12)20-18(22)10-26-19(23)7-3-13-2-6-16-17(9-13)28-11-27-16/h2-9H,10-11H2,1H3,(H,20,22)/b7-3+