N-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide

Systemtic Name: N-[(Z)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-3-propyl-phthalazine-1-carboxamide Openeye Name: N-[(Z)-(4-chloro-3-nitro-phenyl)methyleneamino]-4-oxo-3-propyl-phthalazine-1-carboxamide CAS Name: N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-oxo-3-propyl-1-phthalazinecarboxamide IUPAC Name: N-[(Z)-(4-chloro-3-nitrophenyl)methylideneamino]-4-oxo-3-propylphthalazine-1-carboxamide Traditional Name: N-[(Z)-(4-chloro-3-nitro-benzylidene)amino]-4-keto-3-propyl-phthalazine-1-carboxamide Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

CCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O4/c1-2-9-24-19(27)14-6-4-3-5-13(14)17(23-24)18(26)22-21-11-12-7-8-15(20)16(10-12)25(28)29/h3-8,10-11H,2,9H2,1H3,(H,22,26)/b21-11-