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

Systemtic Name: [(2R)-1-[methyl(phenyl)amino]-1-oxidanylidene-propan-2-yl] 4-azanyl-3-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-(N-methylanilino)-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(N-methylanilino)-1-oxopropan-2-yl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(N-methylanilino)ethyl] ester Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H17N3O5/c1-11(16(21)19(2)13-6-4-3-5-7-13)25-17(22)12-8-9-14(18)15(10-12)20(23)24/h3-11H,18H2,1-2H3/t11-/m1/s1