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

Systemtic Name: methyl 4-[[4-(azepan-1-yl)-3-nitro-phenyl]carbonylamino]benzoate Openeye Name: methyl 4-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]benzoate CAS Name: 4-[[[4-(1-azepanyl)-3-nitrophenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(azepan-1-yl)-3-nitrobenzoyl]amino]benzoate Traditional Name: 4-[[4-(azepan-1-yl)-3-nitro-benzoyl]amino]benzoic acid methyl ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O5/c1-29-21(26)15-6-9-17(10-7-15)22-20(25)16-8-11-18(19(14-16)24(27)28)23-12-4-2-3-5-13-23/h6-11,14H,2-5,12-13H2,1H3,(H,22,25)