4-[[4-(cyclohexylcarbonylamino)-2-nitro-phenyl]amino]butanoic acid

Systemtic Name: 4-[[4-(cyclohexylcarbonylamino)-2-nitro-phenyl]amino]butanoic acid Openeye Name: 4-[4-(cyclohexanecarbonylamino)-2-nitro-anilino]butanoic acid CAS Name: 4-[4-[[cyclohexyl(oxo)methyl]amino]-2-nitroanilino]butanoic acid IUPAC Name: 4-[4-(cyclohexanecarbonylamino)-2-nitroanilino]butanoic acid Traditional Name: 4-[4-(cyclohexanecarbonylamino)-2-nitro-anilino]butyric acid Formula: C17H23N3O5 MolecularWeight: 349.38162

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)NCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)C(=O)NC2=CC(=C(C=C2)NCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H23N3O5/c21-16(22)7-4-10-18-14-9-8-13(11-15(14)20(24)25)19-17(23)12-5-2-1-3-6-12/h8-9,11-12,18H,1-7,10H2,(H,19,23)(H,21,22)