N-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide

Systemtic Name: N-[(E)-1-(4-chloranyl-3-nitro-phenyl)ethylideneamino]-4-oxidanylidene-3-propan-2-yl-phthalazine-1-carboxamide Openeye Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-3-isopropyl-4-oxo-phthalazine-1-carboxamide CAS Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-4-oxo-3-propan-2-yl-1-phthalazinecarboxamide IUPAC Name: N-[(E)-1-(4-chloro-3-nitrophenyl)ethylideneamino]-4-oxo-3-propan-2-ylphthalazine-1-carboxamide Traditional Name: N-[(E)-1-(4-chloro-3-nitro-phenyl)ethylideneamino]-3-isopropyl-4-keto-phthalazine-1-carboxamide Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)NN=C(C)C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

CC(C)N1C(=O)C2=CC=CC=C2C(=N1)C(=O)N/N=C(\C)/C3=CC(=C(C=C3)Cl)[N+](=O)[O-]

InChI

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