5-methyl-7-(3-nitrophenyl)-2-oxidanylidene-1-(phenylmethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid

Systemtic Name: 5-methyl-7-(3-nitrophenyl)-2-oxidanylidene-1-(phenylmethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Openeye Name: 1-benzyl-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid CAS Name: 5-methyl-7-(3-nitrophenyl)-2-oxo-1-(phenylmethyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid IUPAC Name: 1-benzyl-5-methyl-7-(3-nitrophenyl)-2-oxo-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Traditional Name: 1-benzyl-2-keto-5-methyl-7-(3-nitrophenyl)-4,7-dihydropyrazolo[1,5-a]pyrimidine-6-carboxylic acid Formula: C21H18N4O5 MolecularWeight: 406.39142

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(N2C(=CC(=O)N2CC3=CC=CC=C3)N1)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1=C(C(N2C(=CC(=O)N2CC3=CC=CC=C3)N1)C4=CC(=CC=C4)[N+](=O)[O-])C(=O)O

InChI

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