1-(2-methyl-3-nitro-phenyl)-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)urea

Systemtic Name: 1-(2-methyl-3-nitro-phenyl)-3-(2-methyl-1-oxidanylidene-isoquinolin-4-yl)urea Openeye Name: 1-(2-methyl-3-nitro-phenyl)-3-(2-methyl-1-oxo-4-isoquinolyl)urea CAS Name: 1-(2-methyl-3-nitrophenyl)-3-(2-methyl-1-oxo-4-isoquinolinyl)urea IUPAC Name: 1-(2-methyl-3-nitrophenyl)-3-(2-methyl-1-oxoisoquinolin-4-yl)urea Traditional Name: 1-(1-keto-2-methyl-4-isoquinolyl)-3-(2-methyl-3-nitro-phenyl)urea Formula: C18H16N4O4 MolecularWeight: 352.34404

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC2=CN(C(=O)C3=CC=CC=C32)C

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])NC(=O)NC2=CN(C(=O)C3=CC=CC=C32)C

InChI

InChI=1S/C18H16N4O4/c1-11-14(8-5-9-16(11)22(25)26)19-18(24)20-15-10-21(2)17(23)13-7-4-3-6-12(13)15/h3-10H,1-2H3,(H2,19,20,24)