methyl 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate

Systemtic Name: methyl 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate Openeye Name: methyl 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate CAS Name: 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid methyl ester IUPAC Name: methyl 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylate Traditional Name: 3-methyl-7-(4-nitrophenyl)-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepine-5-carboxylic acid methyl ester Formula: C21H17N5O4 MolecularWeight: 403.39078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=C1N=C(CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4

Isomeric SMILES

CC1=NN(C2=C1N=C(CC(=N2)C3=CC=C(C=C3)[N+](=O)[O-])C(=O)OC)C4=CC=CC=C4

InChI

InChI=1S/C21H17N5O4/c1-13-19-20(25(24-13)15-6-4-3-5-7-15)23-17(12-18(22-19)21(27)30-2)14-8-10-16(11-9-14)26(28)29/h3-11H,12H2,1-2H3