[(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [(2R)-1-[(4-methoxyphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1R)-2-(4-methoxyanilino)-1-methyl-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-methoxyanilino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(p-anisidino)ethyl] ester Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O6/c1-10(16(21)19-11-3-6-13(25-2)7-4-11)26-17(22)14-8-5-12(20(23)24)9-15(14)18/h3-10H,18H2,1-2H3,(H,19,21)/t10-/m1/s1