[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate CAS Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 2,3-dihydro-1,4-benzodioxine-6-carboxylate Traditional Name: 2,3-dihydro-1,4-benzodioxin-6-carboxylic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C18H16N2O7 MolecularWeight: 372.32884

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)OCCO3

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=CC3=C(C=C2)OCCO3

InChI

InChI=1S/C18H16N2O7/c1-11(17(21)19-13-4-2-3-5-14(13)20(23)24)27-18(22)12-6-7-15-16(10-12)26-9-8-25-15/h2-7,10-11H,8-9H2,1H3,(H,19,21)