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

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

C[C@@H](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)19-13-3-2-4-14(10-13)20(23)24)27-18(22)12-5-6-15-16(9-12)26-8-7-25-15/h2-6,9-11H,7-8H2,1H3,(H,19,21)/t11-/m0/s1