6-(3-nitrophenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one

Systemtic Name: 6-(3-nitrophenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one Openeye Name: 6-(3-nitrophenyl)-2-(4-pyridylmethyl)pyridazin-3-one CAS Name: 6-(3-nitrophenyl)-2-(pyridin-4-ylmethyl)-3-pyridazinone IUPAC Name: 6-(3-nitrophenyl)-2-(pyridin-4-ylmethyl)pyridazin-3-one Traditional Name: 6-(3-nitrophenyl)-2-(4-pyridylmethyl)pyridazin-3-one Formula: C16H12N4O3 MolecularWeight: 308.29148

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C(=O)C=C2)CC3=CC=NC=C3

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NN(C(=O)C=C2)CC3=CC=NC=C3

InChI

InChI=1S/C16H12N4O3/c21-16-5-4-15(13-2-1-3-14(10-13)20(22)23)18-19(16)11-12-6-8-17-9-7-12/h1-10H,11H2