4-methoxy-3-[(5-oxidanylidene-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-yl)carbonylamino]benzoic acid

Systemtic Name: 4-methoxy-3-[(5-oxidanylidene-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-yl)carbonylamino]benzoic acid Openeye Name: 4-methoxy-3-[(5-oxo-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]benzoic acid CAS Name: 4-methoxy-3-[[oxo-(5-oxo-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidin-7-yl)methyl]amino]benzoic acid IUPAC Name: 4-methoxy-3-[(5-oxo-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]benzoic acid Traditional Name: 3-[(5-keto-3-phenyl-6,7-dihydro-1H-pyrazolo[1,5-a]pyrimidine-7-carbonyl)amino]-4-methoxy-benzoic acid Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CC(=O)N=C3N2NC=C3C4=CC=CC=C4

Isomeric SMILES

COC1=C(C=C(C=C1)C(=O)O)NC(=O)C2CC(=O)N=C3N2NC=C3C4=CC=CC=C4

InChI

InChI=1S/C21H18N4O5/c1-30-17-8-7-13(21(28)29)9-15(17)23-20(27)16-10-18(26)24-19-14(11-22-25(16)19)12-5-3-2-4-6-12/h2-9,11,16,22H,10H2,1H3,(H,23,27)(H,28,29)