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

Systemtic Name: (2-oxidanylidene-2-phenylazanyl-ethyl) 4-methyl-3-nitro-benzoate Openeye Name: (2-anilino-2-oxo-ethyl) 4-methyl-3-nitro-benzoate CAS Name: 4-methyl-3-nitrobenzoic acid (2-anilino-2-oxoethyl) ester IUPAC Name: (2-anilino-2-oxoethyl) 4-methyl-3-nitrobenzoate Traditional Name: 4-methyl-3-nitro-benzoic acid (2-anilino-2-keto-ethyl) ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)OCC(=O)NC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O5/c1-11-7-8-12(9-14(11)18(21)22)16(20)23-10-15(19)17-13-5-3-2-4-6-13/h2-9H,10H2,1H3,(H,17,19)