3-methyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide

Systemtic Name: 3-methyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-methyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-methyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-methyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 4-keto-3-methyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]phthalazine-1-carboxamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4/c1-3-7-17(13-8-6-9-14(12-13)25(28)29)21-22-19(26)18-15-10-4-5-11-16(15)20(27)24(2)23-18/h4-6,8-12H,3,7H2,1-2H3,(H,22,26)/b21-17-