[(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxybenzoate

Systemtic Name: [(2R)-1-[(3-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 4-methoxybenzoate Openeye Name: [(1R)-1-methyl-2-(3-nitroanilino)-2-oxo-ethyl] 4-methoxybenzoate CAS Name: 4-methoxybenzoic acid [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-nitroanilino)-1-oxopropan-2-yl] 4-methoxybenzoate Traditional Name: 4-methoxybenzoic acid [(1R)-2-keto-1-methyl-2-(3-nitroanilino)ethyl] ester Formula: C17H16N2O6 MolecularWeight: 344.31874

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16N2O6/c1-11(25-17(21)12-6-8-15(24-2)9-7-12)16(20)18-13-4-3-5-14(10-13)19(22)23/h3-11H,1-2H3,(H,18,20)/t11-/m1/s1