1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(4-nitrophenyl)urea

Systemtic Name: 1-[(3-butyl-4-oxidanylidene-phthalazin-1-yl)carbonylamino]-3-(4-nitrophenyl)urea Openeye Name: 1-[(3-butyl-4-oxo-phthalazine-1-carbonyl)amino]-3-(4-nitrophenyl)urea CAS Name: 1-[[(3-butyl-4-oxo-1-phthalazinyl)-oxomethyl]amino]-3-(4-nitrophenyl)urea IUPAC Name: 1-[(3-butyl-4-oxophthalazine-1-carbonyl)amino]-3-(4-nitrophenyl)urea Traditional Name: 1-[(3-butyl-4-keto-phthalazine-1-carbonyl)amino]-3-(4-nitrophenyl)urea Formula: C20H20N6O5 MolecularWeight: 424.41

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCN1C(=O)C2=CC=CC=C2C(=N1)C(=O)NNC(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H20N6O5/c1-2-3-12-25-19(28)16-7-5-4-6-15(16)17(24-25)18(27)22-23-20(29)21-13-8-10-14(11-9-13)26(30)31/h4-11H,2-3,12H2,1H3,(H,22,27)(H2,21,23,29)