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

Systemtic Name: [(2R)-1-[(3-ethanoylphenyl)amino]-1-oxidanylidene-propan-2-yl] 2-azanyl-4-nitro-benzoate Openeye Name: [(1R)-2-(3-acetylanilino)-1-methyl-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(3-acetylanilino)-1-oxopropan-2-yl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [(1R)-2-(3-acetylanilino)-2-keto-1-methyl-ethyl] ester Formula: C18H17N3O6 MolecularWeight: 371.34408

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H17N3O6/c1-10(22)12-4-3-5-13(8-12)20-17(23)11(2)27-18(24)15-7-6-14(21(25)26)9-16(15)19/h3-9,11H,19H2,1-2H3,(H,20,23)/t11-/m1/s1