N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxidanylidene-3H-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide IUPAC Name: N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-4-oxo-3H-phthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-1-(3-nitrophenyl)ethylideneamino]-3H-phthalazine-1-carboxamide Formula: C17H13N5O4 MolecularWeight: 351.31622

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Descriptors Computed from Structure

Canonical SMILES:

CC(=NNC(=O)C1=NNC(=O)C2=CC=CC=C21)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C/C(=N/NC(=O)C1=NNC(=O)C2=CC=CC=C21)/C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N5O4/c1-10(11-5-4-6-12(9-11)22(25)26)18-21-17(24)15-13-7-2-3-8-14(13)16(23)20-19-15/h2-9H,1H3,(H,20,23)(H,21,24)/b18-10-