N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(4-nitrophenyl)ethylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: 4-keto-N-[(E)-1-(4-nitrophenyl)ethylideneamino]-3-propyl-phthalazine-1-carboxamide Formula: C20H19N5O4 MolecularWeight: 393.39596

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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)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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