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

Systemtic Name: 3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(4-methoxy-3-nitrophenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(4-methoxy-3-nitrophenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-3-(4-methoxy-3-nitro-phenyl)pyrazol-1-yl]propionic acid Formula: C19H18N4O7 MolecularWeight: 414.36882

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])CCC(=O)O)C#N

Isomeric SMILES

CCOC(=O)C(=CC1=CN(N=C1C2=CC(=C(C=C2)OC)[N+](=O)[O-])CCC(=O)O)C#N

InChI

InChI=1S/C19H18N4O7/c1-3-30-19(26)13(10-20)8-14-11-22(7-6-17(24)25)21-18(14)12-4-5-16(29-2)15(9-12)23(27)28/h4-5,8-9,11H,3,6-7H2,1-2H3,(H,24,25)