3-[4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-3-(3-chlorophenyl)pyrazol-1-yl]propanoic acid

Systemtic Name: 3-[4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-3-(3-chlorophenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(3-amino-2-cyano-3-oxo-prop-1-enyl)-3-(3-chlorophenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-3-(3-chlorophenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-3-(3-chlorophenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(3-amino-2-cyano-3-keto-prop-1-enyl)-3-(3-chlorophenyl)pyrazol-1-yl]propionic acid Formula: C16H13ClN4O3 MolecularWeight: 344.75242

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Cl)C2=NN(C=C2C=C(C#N)C(=O)N)CCC(=O)O

Isomeric SMILES

C1=CC(=CC(=C1)Cl)C2=NN(C=C2C=C(C#N)C(=O)N)CCC(=O)O

InChI

InChI=1S/C16H13ClN4O3/c17-13-3-1-2-10(7-13)15-12(6-11(8-18)16(19)24)9-21(20-15)5-4-14(22)23/h1-3,6-7,9H,4-5H2,(H2,19,24)(H,22,23)