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

Systemtic Name: 3-[4-(2-cyano-3-ethoxy-3-oxidanylidene-prop-1-enyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanoic acid Openeye Name: 3-[4-(2-cyano-3-ethoxy-3-oxo-prop-1-enyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanoic acid CAS Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(3-nitrophenyl)-1-pyrazolyl]propanoic acid IUPAC Name: 3-[4-(2-cyano-3-ethoxy-3-oxoprop-1-enyl)-3-(3-nitrophenyl)pyrazol-1-yl]propanoic acid Traditional Name: 3-[4-(2-cyano-3-ethoxy-3-keto-prop-1-enyl)-3-(3-nitrophenyl)pyrazol-1-yl]propionic acid Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H16N4O6/c1-2-28-18(25)13(10-19)8-14-11-21(7-6-16(23)24)20-17(14)12-4-3-5-15(9-12)22(26)27/h3-5,8-9,11H,2,6-7H2,1H3,(H,23,24)