N-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-4-nitro-benzamide

Systemtic Name: N-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-4-nitro-benzamide Openeye Name: N-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-4-nitro-benzamide CAS Name: N-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)-5-pyrrolo[3,2-b]pyridinyl]-N-methyl-4-nitrobenzamide IUPAC Name: N-[(2Z)-2-(1,2-dihydroindazol-3-ylidene)pyrrolo[3,2-b]pyridin-5-yl]-N-methyl-4-nitrobenzamide Traditional Name: N-[(2Z)-2-indazolin-3-ylidenepyrrolo[3,2-b]pyridin-5-yl]-N-methyl-4-nitro-benzamide Formula: C22H16N6O3 MolecularWeight: 412.40084

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=NC2=CC(=C3C4=CC=CC=C4NN3)N=C2C=C1)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

Isomeric SMILES

CN(C1=NC2=C/C(=C/3\C4=CC=CC=C4NN3)/N=C2C=C1)C(=O)C5=CC=C(C=C5)[N+](=O)[O-]

InChI

InChI=1S/C22H16N6O3/c1-27(22(29)13-6-8-14(9-7-13)28(30)31)20-11-10-17-18(24-20)12-19(23-17)21-15-4-2-3-5-16(15)25-26-21/h2-12,25-26H,1H3/b21-19-