ethyl 4-[[[2-(cyclopentylamino)-5-nitro-phenyl]carbonylamino]methyl]benzoate

Systemtic Name: ethyl 4-[[[2-(cyclopentylamino)-5-nitro-phenyl]carbonylamino]methyl]benzoate Openeye Name: ethyl 4-[[[2-(cyclopentylamino)-5-nitro-benzoyl]amino]methyl]benzoate CAS Name: 4-[[[[2-(cyclopentylamino)-5-nitrophenyl]-oxomethyl]amino]methyl]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[[2-(cyclopentylamino)-5-nitrobenzoyl]amino]methyl]benzoate Traditional Name: 4-[[[2-(cyclopentylamino)-5-nitro-benzoyl]amino]methyl]benzoic acid ethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCC3

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)CNC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NC3CCCC3

InChI

InChI=1S/C22H25N3O5/c1-2-30-22(27)16-9-7-15(8-10-16)14-23-21(26)19-13-18(25(28)29)11-12-20(19)24-17-5-3-4-6-17/h7-13,17,24H,2-6,14H2,1H3,(H,23,26)