methyl 4-[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate

Systemtic Name: methyl 4-[(2R)-1-[(3-chlorophenyl)amino]-1-oxidanylidene-propan-2-yl]oxy-3-nitro-benzoate Openeye Name: methyl 4-[(1R)-2-(3-chloroanilino)-1-methyl-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[(2R)-1-(3-chloroanilino)-1-oxopropan-2-yl]oxy-3-nitrobenzoate Traditional Name: 4-[(1R)-2-(3-chloroanilino)-2-keto-1-methyl-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C17H15ClN2O6 MolecularWeight: 378.7638

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC(=CC=C1)Cl)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC(=CC=C1)Cl)OC2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H15ClN2O6/c1-10(16(21)19-13-5-3-4-12(18)9-13)26-15-7-6-11(17(22)25-2)8-14(15)20(23)24/h3-10H,1-2H3,(H,19,21)/t10-/m1/s1