1-(2-chloranyl-5-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea

Systemtic Name: 1-(2-chloranyl-5-nitro-phenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea Openeye Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea CAS Name: 1-(2-chloro-5-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea IUPAC Name: 1-(2-chloro-5-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea Traditional Name: 1-(2-chloro-5-nitro-phenyl)-3-[3-[(4-keto-3H-phthalazin-1-yl)amino]propyl]urea Formula: C18H17ClN6O4 MolecularWeight: 416.81838

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)NN=C2NCCCNC(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C18H17ClN6O4/c19-14-7-6-11(25(28)29)10-15(14)22-18(27)21-9-3-8-20-16-12-4-1-2-5-13(12)17(26)24-23-16/h1-2,4-7,10H,3,8-9H2,(H,20,23)(H,24,26)(H2,21,22,27)