4-(5-methoxycarbonyl-3-methyl-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepin-7-yl)-N-oxidanyl-benzeneamine oxide

Systemtic Name: 4-(5-methoxycarbonyl-3-methyl-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepin-7-yl)-N-oxidanyl-benzeneamine oxide Openeye Name: N-hydroxy-4-(5-methoxycarbonyl-3-methyl-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepin-7-yl)benzeneamine oxide CAS Name: N-hydroxy-4-(5-methoxycarbonyl-3-methyl-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepin-7-yl)benzeneamine oxide IUPAC Name: N-hydroxy-4-(5-methoxycarbonyl-3-methyl-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepin-7-yl)benzeneamine oxide Traditional Name: 4-(5-carbomethoxy-3-methyl-1-phenyl-6H-pyrazolo[3,4-b][1,4]diazepin-7-yl)-N-hydroxy-benzeneamine oxide Formula: C21H19N5O4 MolecularWeight: 405.40666

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H19N5O4/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/h3-11,26,28H,12H2,1-2H3