[2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(2-phenylethanoylamino)ethyl] 4-(azepan-1-yl)-3-nitro-benzoate Openeye Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(azepan-1-yl)-3-nitro-benzoate CAS Name: 4-(1-azepanyl)-3-nitrobenzoic acid [2-oxo-2-[(1-oxo-2-phenylethyl)amino]ethyl] ester IUPAC Name: [2-oxo-2-[(2-phenylacetyl)amino]ethyl] 4-(azepan-1-yl)-3-nitrobenzoate Traditional Name: 4-(azepan-1-yl)-3-nitro-benzoic acid [2-keto-2-[(2-phenylacetyl)amino]ethyl] ester Formula: C23H25N3O6 MolecularWeight: 439.4611

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)OCC(=O)NC(=O)CC3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C23H25N3O6/c27-21(14-17-8-4-3-5-9-17)24-22(28)16-32-23(29)18-10-11-19(20(15-18)26(30)31)25-12-6-1-2-7-13-25/h3-5,8-11,15H,1-2,6-7,12-14,16H2,(H,24,27,28)