N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(4-methyl-3-nitrophenyl)ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-1-(4-methyl-3-nitro-phenyl)ethylideneamino]-3-propyl-phthalazine-1-carboxamide Formula: C21H21N5O4 MolecularWeight: 407.42254

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC(=C(C=C3)C)[N+](=O)[O-]

Isomeric SMILES

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC(=C(C=C3)C)[N+](=O)[O-]

InChI

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