1-methyl-3-[[2-[(4-nitroimidazol-1-yl)methyl]phenyl]methyl]urea

Systemtic Name: 1-methyl-3-[[2-[(4-nitroimidazol-1-yl)methyl]phenyl]methyl]urea Openeye Name: 1-methyl-3-[[2-[(4-nitroimidazol-1-yl)methyl]phenyl]methyl]urea CAS Name: 1-methyl-3-[[2-[(4-nitro-1-imidazolyl)methyl]phenyl]methyl]urea IUPAC Name: 1-methyl-3-[[2-[(4-nitroimidazol-1-yl)methyl]phenyl]methyl]urea Traditional Name: 1-methyl-3-[2-[(4-nitroimidazol-1-yl)methyl]benzyl]urea Formula: C13H15N5O3 MolecularWeight: 289.2899

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Descriptors Computed from Structure

Canonical SMILES:

CNC(=O)NCC1=CC=CC=C1CN2C=C(N=C2)[N+](=O)[O-]

Isomeric SMILES

CNC(=O)NCC1=CC=CC=C1CN2C=C(N=C2)[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O3/c1-14-13(19)15-6-10-4-2-3-5-11(10)7-17-8-12(16-9-17)18(20)21/h2-5,8-9H,6-7H2,1H3,(H2,14,15,19)