4-[4-(2-dimethylaminoethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one

Systemtic Name: 4-[4-(2-dimethylaminoethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one Openeye Name: 4-[4-(2-dimethylaminoethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one CAS Name: 4-[4-(2-dimethylaminoethylamino)-3-nitrophenyl]-2H-phthalazin-1-one IUPAC Name: 4-[4-(2-dimethylaminoethylamino)-3-nitrophenyl]-2H-phthalazin-1-one Traditional Name: 4-[4-(2-dimethylaminoethylamino)-3-nitro-phenyl]-2H-phthalazin-1-one Formula: C18H19N5O3 MolecularWeight: 353.37516

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CN(C)CCNC1=C(C=C(C=C1)C2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C18H19N5O3/c1-22(2)10-9-19-15-8-7-12(11-16(15)23(25)26)17-13-5-3-4-6-14(13)18(24)21-20-17/h3-8,11,19H,9-10H2,1-2H3,(H,21,24)