1-(3-nitrophenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea

Systemtic Name: 1-(3-nitrophenyl)-3-[3-[(4-oxidanylidene-3H-phthalazin-1-yl)amino]propyl]urea Openeye Name: 1-(3-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea CAS Name: 1-(3-nitrophenyl)-3-[3-[(4-oxo-3H-phthalazin-1-yl)amino]propyl]urea IUPAC Name: 1-(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-(3-nitrophenyl)urea Formula: C18H18N6O4 MolecularWeight: 382.37332

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H18N6O4/c25-17-15-8-2-1-7-14(15)16(22-23-17)19-9-4-10-20-18(26)21-12-5-3-6-13(11-12)24(27)28/h1-3,5-8,11H,4,9-10H2,(H,19,22)(H,23,25)(H2,20,21,26)