(2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-methyl-4-nitro-benzoate

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 3-methyl-4-nitro-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid (2-amino-2-keto-1-phenyl-ethyl) ester Formula: C16H14N2O5 MolecularWeight: 314.29276

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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