[(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-2-oxidanyl-benzoate

Systemtic Name: [(2R)-1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 5-methoxy-2-oxidanyl-benzoate Openeye Name: [(1R)-1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 2-hydroxy-5-methoxy-benzoate CAS Name: 2-hydroxy-5-methoxybenzoic acid [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2-nitroanilino)-1-oxopropan-2-yl] 2-hydroxy-5-methoxybenzoate Traditional Name: 2-hydroxy-5-methoxy-benzoic acid [(1R)-2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C17H16N2O7 MolecularWeight: 360.31814

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O7/c1-10(16(21)18-13-5-3-4-6-14(13)19(23)24)26-17(22)12-9-11(25-2)7-8-15(12)20/h3-10,20H,1-2H3,(H,18,21)/t10-/m1/s1