5-(aminomethyl)-1-(3-nitrophenyl)-6-oxidanyl-4-oxidanylidene-pyridazine-3-carbonitrile

Systemtic Name: 5-(aminomethyl)-1-(3-nitrophenyl)-6-oxidanyl-4-oxidanylidene-pyridazine-3-carbonitrile Openeye Name: 5-(aminomethyl)-6-hydroxy-1-(3-nitrophenyl)-4-oxo-pyridazine-3-carbonitrile CAS Name: 5-(aminomethyl)-6-hydroxy-1-(3-nitrophenyl)-4-oxo-3-pyridazinecarbonitrile IUPAC Name: 5-(aminomethyl)-6-hydroxy-1-(3-nitrophenyl)-4-oxopyridazine-3-carbonitrile Traditional Name: 5-(aminomethyl)-6-hydroxy-4-keto-1-(3-nitrophenyl)pyridazine-3-carbonitrile Formula: C12H9N5O4 MolecularWeight: 287.23096

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=C(C(=O)C(=N2)C#N)CN)O

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])N2C(=C(C(=O)C(=N2)C#N)CN)O

InChI

InChI=1S/C12H9N5O4/c13-5-9-11(18)10(6-14)15-16(12(9)19)7-2-1-3-8(4-7)17(20)21/h1-4,19H,5,13H2