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

Systemtic Name: N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-3-propyl-phthalazine-1-carboxamide Formula: C22H23N5O4 MolecularWeight: 421.44912

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H23N5O4/c1-3-8-19(15-9-7-10-16(14-15)27(30)31)23-24-21(28)20-17-11-5-6-12-18(17)22(29)26(25-20)13-4-2/h5-7,9-12,14H,3-4,8,13H2,1-2H3,(H,24,28)/b23-19-