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

Systemtic Name: 3-ethyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-ethyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-ethyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-ethyl-N-[(Z)-1-(3-nitrophenyl)butylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-ethyl-4-keto-N-[(Z)-1-(3-nitrophenyl)butylideneamino]phthalazine-1-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H21N5O4/c1-3-8-18(14-9-7-10-15(13-14)26(29)30)22-23-20(27)19-16-11-5-6-12-17(16)21(28)25(4-2)24-19/h5-7,9-13H,3-4,8H2,1-2H3,(H,23,27)/b22-18-