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

Systemtic Name: (2-azanyl-2-oxidanylidene-1-phenyl-ethyl) 2-methyl-3-nitro-benzoate Openeye Name: (2-amino-2-oxo-1-phenyl-ethyl) 2-methyl-3-nitro-benzoate CAS Name: 2-methyl-3-nitrobenzoic acid (2-amino-2-oxo-1-phenylethyl) ester IUPAC Name: (2-amino-2-oxo-1-phenylethyl) 2-methyl-3-nitrobenzoate Traditional Name: 2-methyl-3-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[N+](=O)[O-])C(=O)OC(C2=CC=CC=C2)C(=O)N

Isomeric SMILES

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

InChI

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