[(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate

Systemtic Name: [(2R)-1-[(3-methylphenyl)amino]-1-oxidanylidene-propan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Openeye Name: [(1R)-1-methyl-2-(3-methylanilino)-2-oxo-ethyl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate CAS Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-methylanilino)-1-oxopropan-2-yl] 6-nitro-2,3-dihydro-1,4-benzodioxine-7-carboxylate Traditional Name: 6-nitro-2,3-dihydro-1,4-benzodioxin-7-carboxylic acid [(1R)-2-keto-1-methyl-2-(m-toluidino)ethyl] ester Formula: C19H18N2O7 MolecularWeight: 386.35542

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC=C1)NC(=O)C(C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

Isomeric SMILES

CC1=CC(=CC=C1)NC(=O)[C@@H](C)OC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCCO3

InChI

InChI=1S/C19H18N2O7/c1-11-4-3-5-13(8-11)20-18(22)12(2)28-19(23)14-9-16-17(27-7-6-26-16)10-15(14)21(24)25/h3-5,8-10,12H,6-7H2,1-2H3,(H,20,22)/t12-/m1/s1