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

Systemtic Name: 3-[4-(3-azanyl-2-cyano-3-oxidanylidene-prop-1-enyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(3-amino-2-cyano-3-oxo-prop-1-enyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-3-(4-methoxy-3-nitrophenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(3-amino-2-cyano-3-oxoprop-1-enyl)-3-(4-methoxy-3-nitrophenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(3-amino-2-cyano-3-keto-prop-1-enyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propionic acid Formula: C17H15N5O6 MolecularWeight: 385.3309

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N)CCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NN(C=C2C=C(C#N)C(=O)N)CCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C17H15N5O6/c1-28-14-3-2-10(7-13(14)22(26)27)16-12(6-11(8-18)17(19)25)9-21(20-16)5-4-15(23)24/h2-3,6-7,9H,4-5H2,1H3,(H2,19,25)(H,23,24)