4-[4-ethoxycarbonyl-3-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid

Systemtic Name: 4-[4-ethoxycarbonyl-3-(4-nitrophenyl)-5-oxidanylidene-1H-pyrazol-2-yl]benzoic acid Openeye Name: 4-[4-ethoxycarbonyl-3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid CAS Name: 4-[4-ethoxycarbonyl-3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid IUPAC Name: 4-[4-ethoxycarbonyl-3-(4-nitrophenyl)-5-oxo-1H-pyrazol-2-yl]benzoic acid Traditional Name: 4-[4-carbethoxy-3-keto-5-(4-nitrophenyl)-3-pyrazolin-1-yl]benzoic acid Formula: C19H15N3O7 MolecularWeight: 397.3383

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=C(N(NC1=O)C2=CC=C(C=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C19H15N3O7/c1-2-29-19(26)15-16(11-3-9-14(10-4-11)22(27)28)21(20-17(15)23)13-7-5-12(6-8-13)18(24)25/h3-10H,2H2,1H3,(H,20,23)(H,24,25)