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

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 6-chloranyl-3,4-dihydro-2H-chromene-3-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 6-chlorochromane-3-carboxylate CAS Name: 6-chloro-3,4-dihydro-2H-1-benzopyran-3-carboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 6-chloro-3,4-dihydro-2H-chromene-3-carboxylate Traditional Name: 6-chlorochroman-3-carboxylic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C19H17ClN2O6 MolecularWeight: 404.80108

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2CC3=C(C=CC(=C3)Cl)OC2

InChI

InChI=1S/C19H17ClN2O6/c1-11(18(23)21-15-4-2-3-5-16(15)22(25)26)28-19(24)13-8-12-9-14(20)6-7-17(12)27-10-13/h2-7,9,11,13H,8,10H2,1H3,(H,21,23)