N-[(Z)-(2-nitrophenyl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(2-nitrophenyl)methylideneamino]-4-oxidanylidene-3-pentyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(2-nitrophenyl)methyleneamino]-4-oxo-3-pentyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-(2-nitrophenyl)methylideneamino]-4-oxo-3-pentyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(2-nitrophenyl)methylideneamino]-4-oxo-3-pentylphthalazine-1-carboxamide Traditional Name: 3-amyl-4-keto-N-[(Z)-(2-nitrobenzylidene)amino]phthalazine-1-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC=CC=C3[N+](=O)[O-]

Isomeric SMILES

CCCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C\C3=CC=CC=C3[N+](=O)[O-]

InChI

InChI=1S/C21H21N5O4/c1-2-3-8-13-25-21(28)17-11-6-5-10-16(17)19(24-25)20(27)23-22-14-15-9-4-7-12-18(15)26(29)30/h4-7,9-12,14H,2-3,8,13H2,1H3,(H,23,27)/b22-14-