phenacyl 2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]benzoate

Systemtic Name: phenacyl 2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: phenacyl 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]benzoate CAS Name: 2-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid phenacyl ester IUPAC Name: phenacyl 2-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]benzoic acid phenacyl ester Formula: C28H27N3O6 MolecularWeight: 501.53048

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)OCC(=O)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCCN(CC1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C(=O)OCC(=O)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C28H27N3O6/c32-26(20-10-4-3-5-11-20)19-37-28(34)22-12-6-7-13-23(22)29-27(33)21-14-15-24(25(18-21)31(35)36)30-16-8-1-2-9-17-30/h3-7,10-15,18H,1-2,8-9,16-17,19H2,(H,29,33)