7-[(3-iodanyl-4-methyl-phenyl)carbonylamino]-4-methyl-9-oxidanylidene-pyrazolo[5,1-b]quinazoline-2-carboxylic acid

Systemtic Name: 7-[(3-iodanyl-4-methyl-phenyl)carbonylamino]-4-methyl-9-oxidanylidene-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Openeye Name: 7-[(3-iodo-4-methyl-benzoyl)amino]-4-methyl-9-oxo-pyrazolo[5,1-b]quinazoline-2-carboxylic acid CAS Name: 7-[[(3-iodo-4-methylphenyl)-oxomethyl]amino]-4-methyl-9-oxo-2-pyrazolo[5,1-b]quinazolinecarboxylic acid IUPAC Name: 7-[(3-iodo-4-methylbenzoyl)amino]-4-methyl-9-oxopyrazolo[5,1-b]quinazoline-2-carboxylic acid Traditional Name: 7-[(3-iodo-4-methyl-benzoyl)amino]-9-keto-4-methyl-pyrazolo[5,1-b]quinazoline-2-carboxylic acid Formula: C20H15IN4O4 MolecularWeight: 502.26197

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C4=CC(=NN4C3=O)C(=O)O)C)I

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC3=C(C=C2)N(C4=CC(=NN4C3=O)C(=O)O)C)I

InChI

InChI=1S/C20H15IN4O4/c1-10-3-4-11(7-14(10)21)18(26)22-12-5-6-16-13(8-12)19(27)25-17(24(16)2)9-15(23-25)20(28)29/h3-9H,1-2H3,(H,22,26)(H,28,29)