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

Systemtic Name: N-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-3-ethyl-4-oxidanylidene-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-3-ethyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-ethyl-4-oxo-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-3-ethyl-4-oxophthalazine-1-carboxamide Traditional Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-3-ethyl-4-keto-phthalazine-1-carboxamide Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H16ClN5O4/c1-3-24-19(27)14-7-5-4-6-13(14)17(23-24)18(26)22-21-11(2)12-8-9-15(20)16(10-12)25(28)29/h4-10H,3H2,1-2H3,(H,22,26)/b21-11+