[2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate

Systemtic Name: [2-[(4,5-dimethyl-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Openeye Name: [2-(4,5-dimethyl-2-nitro-anilino)-2-oxo-ethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate CAS Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(4,5-dimethyl-2-nitroanilino)-2-oxoethyl] (3R)-2,3-dihydro-1,4-benzodioxine-3-carboxylate Traditional Name: (3R)-2,3-dihydro-1,4-benzodioxin-3-carboxylic acid [2-(4,5-dimethyl-2-nitro-anilino)-2-keto-ethyl] ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)C2COC3=CC=CC=C3O2

Isomeric SMILES

CC1=CC(=C(C=C1C)[N+](=O)[O-])NC(=O)COC(=O)[C@H]2COC3=CC=CC=C3O2

InChI

InChI=1S/C19H18N2O7/c1-11-7-13(14(21(24)25)8-12(11)2)20-18(22)10-27-19(23)17-9-26-15-5-3-4-6-16(15)28-17/h3-8,17H,9-10H2,1-2H3,(H,20,22)/t17-/m1/s1