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

Systemtic Name: ethyl 2-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: ethyl 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]benzoate CAS Name: 2-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 2-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC(=O)C2=CC(=C(C=C2)N3CCCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-2-30-22(27)17-9-5-6-10-18(17)23-21(26)16-11-12-19(20(15-16)25(28)29)24-13-7-3-4-8-14-24/h5-6,9-12,15H,2-4,7-8,13-14H2,1H3,(H,23,26)