[1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate

Systemtic Name: [1-[(2-nitrophenyl)amino]-1-oxidanylidene-propan-2-yl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate Openeye Name: [1-methyl-2-(2-nitroanilino)-2-oxo-ethyl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate CAS Name: 7-phenyl-3-pyrazolo[1,5-a]pyrimidinecarboxylic acid [1-(2-nitroanilino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(2-nitroanilino)-1-oxopropan-2-yl] 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylate Traditional Name: 7-phenylpyrazolo[1,5-a]pyrimidine-3-carboxylic acid [2-keto-1-methyl-2-(2-nitroanilino)ethyl] ester Formula: C22H17N5O5 MolecularWeight: 431.40088

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CC=C4

Isomeric SMILES

CC(C(=O)NC1=CC=CC=C1[N+](=O)[O-])OC(=O)C2=C3N=CC=C(N3N=C2)C4=CC=CC=C4

InChI

InChI=1S/C22H17N5O5/c1-14(21(28)25-17-9-5-6-10-19(17)27(30)31)32-22(29)16-13-24-26-18(11-12-23-20(16)26)15-7-3-2-4-8-15/h2-14H,1H3,(H,25,28)