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

Systemtic Name: 3-butyl-N-[(E)-(4-chloranyl-3-nitro-phenyl)methylideneamino]-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: 3-butyl-N-[(E)-(4-chloro-3-nitro-phenyl)methyleneamino]-4-oxo-phthalazine-1-carboxamide CAS Name: 3-butyl-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-oxo-1-phthalazinecarboxamide IUPAC Name: 3-butyl-N-[(E)-(4-chloro-3-nitrophenyl)methylideneamino]-4-oxophthalazine-1-carboxamide Traditional Name: 3-butyl-N-[(E)-(4-chloro-3-nitro-benzylidene)amino]-4-keto-phthalazine-1-carboxamide Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=CC3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O4/c1-2-3-10-25-20(28)15-7-5-4-6-14(15)18(24-25)19(27)23-22-12-13-8-9-16(21)17(11-13)26(29)30/h4-9,11-12H,2-3,10H2,1H3,(H,23,27)/b22-12+