3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[(5-nitro-2-oxidanyl-phenyl)methyl]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(2-hydroxy-5-nitro-phenyl)methyl]-3-methyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(2-hydroxy-5-nitrophenyl)methyl]-3-methyl-4-oxophthalazine-1-carboxamide Traditional Name: N-(2-hydroxy-5-nitro-benzyl)-4-keto-3-methyl-phthalazine-1-carboxamide Formula: C17H14N4O5 MolecularWeight: 354.31686

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Descriptors Computed from Structure

Canonical SMILES:

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

Isomeric SMILES

CN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])O

InChI

InChI=1S/C17H14N4O5/c1-20-17(24)13-5-3-2-4-12(13)15(19-20)16(23)18-9-10-8-11(21(25)26)6-7-14(10)22/h2-8,22H,9H2,1H3,(H,18,23)