(1-oxidanylidene-1-phenyl-propan-2-yl) 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: (1-oxidanylidene-1-phenyl-propan-2-yl) 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: (1-methyl-2-oxo-2-phenyl-ethyl) 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid (1-oxo-1-phenylpropan-2-yl) ester IUPAC Name: (1-oxo-1-phenylpropan-2-yl) 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid (2-keto-1-methyl-2-phenyl-ethyl) ester Formula: C22H24N2O5 MolecularWeight: 396.43636

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)C1=CC=CC=C1)OC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H24N2O5/c1-16(21(25)17-9-5-4-6-10-17)29-22(26)18-11-12-19(20(15-18)24(27)28)23-13-7-2-3-8-14-23/h4-6,9-12,15-16H,2-3,7-8,13-14H2,1H3