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

Systemtic Name: 2-[(3-cyanophenyl)-[2-(4-nitrophenyl)ethyl]amino]butanoic acid Openeye Name: 2-[3-cyano-N-[2-(4-nitrophenyl)ethyl]anilino]butanoic acid CAS Name: 2-[3-cyano-N-[2-(4-nitrophenyl)ethyl]anilino]butanoic acid IUPAC Name: 2-[3-cyano-N-[2-(4-nitrophenyl)ethyl]anilino]butanoic acid Traditional Name: 2-[3-cyano-N-[2-(4-nitrophenyl)ethyl]anilino]butyric acid Formula: C19H19N3O4 MolecularWeight: 353.37186

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C(=O)O)N(CCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC(=C2)C#N

Isomeric SMILES

CCC(C(=O)O)N(CCC1=CC=C(C=C1)[N+](=O)[O-])C2=CC=CC(=C2)C#N

InChI

InChI=1S/C19H19N3O4/c1-2-18(19(23)24)21(17-5-3-4-15(12-17)13-20)11-10-14-6-8-16(9-7-14)22(25)26/h3-9,12,18H,2,10-11H2,1H3,(H,23,24)