1-(2-methyl-3-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea Openeye Name: 1-(2-methyl-3-nitro-phenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea CAS Name: 1-(2-methyl-3-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea IUPAC Name: 1-(2-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-(2-methyl-3-nitro-phenyl)urea Formula: C19H20N6O4 MolecularWeight: 396.3999

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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