(1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-azanyl-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenylazanyl-propan-2-yl) 4-azanyl-3-nitro-benzoate Openeye Name: (2-anilino-1-methyl-2-oxo-ethyl) 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid (1-anilino-1-oxopropan-2-yl) ester IUPAC Name: (1-anilino-1-oxopropan-2-yl) 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid (2-anilino-2-keto-1-methyl-ethyl) ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C16H15N3O5/c1-10(15(20)18-12-5-3-2-4-6-12)24-16(21)11-7-8-13(17)14(9-11)19(22)23/h2-10H,17H2,1H3,(H,18,20)