(2-oxidanylidene-2-phenylazanyl-ethyl) 4-(methylamino)-3-nitro-benzoate

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-(methylamino)-3-nitro-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-(methylamino)-3-nitro-benzoate CAS Name: 4-(methylamino)-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-(methylamino)-3-nitrobenzoate Traditional Name: 4-(methylamino)-3-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CNC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

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