1-(4-methyl-3-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea

Systemtic Name: 1-(4-methyl-3-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea Openeye Name: 1-(4-methyl-3-nitro-phenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea CAS Name: 1-(4-methyl-3-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea IUPAC Name: 1-(4-methyl-3-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea Traditional Name: 1-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]-3-(4-methyl-3-nitro-phenyl)urea Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)NCCCNC2=NNC(=O)C3=CC=CC=C32)[N+](=O)[O-]

InChI

InChI=1S/C19H20N6O4/c1-12-7-8-13(11-16(12)25(28)29)22-19(27)21-10-4-9-20-17-14-5-2-3-6-15(14)18(26)24-23-17/h2-3,5-8,11H,4,9-10H2,1H3,(H,20,23)(H,24,26)(H2,21,22,27)