4-[[[2-(cyclopentylamino)-5-nitro-phenyl]carbonylamino]methyl]benzoic acid

Systemtic Name: 4-[[[2-(cyclopentylamino)-5-nitro-phenyl]carbonylamino]methyl]benzoic acid Openeye Name: 4-[[[2-(cyclopentylamino)-5-nitro-benzoyl]amino]methyl]benzoic acid CAS Name: 4-[[[[2-(cyclopentylamino)-5-nitrophenyl]-oxomethyl]amino]methyl]benzoic acid IUPAC Name: 4-[[[2-(cyclopentylamino)-5-nitrobenzoyl]amino]methyl]benzoic acid Traditional Name: 4-[[[2-(cyclopentylamino)-5-nitro-benzoyl]amino]methyl]benzoic acid Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(=O)O

Isomeric SMILES

C1CCC(C1)NC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=C(C=C3)C(=O)O

InChI

InChI=1S/C20H21N3O5/c24-19(21-12-13-5-7-14(8-6-13)20(25)26)17-11-16(23(27)28)9-10-18(17)22-15-3-1-2-4-15/h5-11,15,22H,1-4,12H2,(H,21,24)(H,25,26)