2-[(3-cyanophenyl)-[4-(4-nitrophenyl)butyl]amino]butanoic acid

Systemtic Name: 2-[(3-cyanophenyl)-[4-(4-nitrophenyl)butyl]amino]butanoic acid Openeye Name: 2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]butanoic acid CAS Name: 2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]butanoic acid IUPAC Name: 2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]butanoic acid Traditional Name: 2-[3-cyano-N-[4-(4-nitrophenyl)butyl]anilino]butyric acid Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CCCCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC(=C2)C#N

Isomeric SMILES

CCC(C(=O)O)N(CCCCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC(=C2)C#N

InChI

InChI=1S/C21H23N3O4/c1-2-20(21(25)26)23(19-8-5-7-17(14-19)15-22)13-4-3-6-16-9-11-18(12-10-16)24(27)28/h5,7-12,14,20H,2-4,6,13H2,1H3,(H,25,26)