3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenyl-pyrazolo[3,4-b]pyridin-4-amine

Systemtic Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenyl-pyrazolo[3,4-b]pyridin-4-amine Openeye Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]-1-phenyl-pyrazolo[3,4-b]pyridin-4-amine CAS Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenyl-4-pyrazolo[3,4-b]pyridinamine IUPAC Name: 3-methyl-N-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methylideneamino]-1-phenylpyrazolo[3,4-b]pyridin-4-amine Traditional Name: (3-methyl-1-phenyl-pyrazolo[3,4-b]pyridin-4-yl)-[(E)-(6-nitro-1,3-benzodioxol-5-yl)methyleneamino]amine Formula: C21H16N6O4 MolecularWeight: 416.38954

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN(C2=NC=CC(=C12)NN=CC3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=C5

Isomeric SMILES

CC1=NN(C2=NC=CC(=C12)N/N=C/C3=CC4=C(C=C3[N+](=O)[O-])OCO4)C5=CC=CC=C5

InChI

InChI=1S/C21H16N6O4/c1-13-20-16(7-8-22-21(20)26(25-13)15-5-3-2-4-6-15)24-23-11-14-9-18-19(31-12-30-18)10-17(14)27(28)29/h2-11H,12H2,1H3,(H,22,24)/b23-11+