1-(3-imidazol-1-ylpropyl)-3-(2-methyl-4-nitro-phenyl)urea

Systemtic Name: 1-(3-imidazol-1-ylpropyl)-3-(2-methyl-4-nitro-phenyl)urea Openeye Name: 1-(3-imidazol-1-ylpropyl)-3-(2-methyl-4-nitro-phenyl)urea CAS Name: 1-[3-(1-imidazolyl)propyl]-3-(2-methyl-4-nitrophenyl)urea IUPAC Name: 1-(3-imidazol-1-ylpropyl)-3-(2-methyl-4-nitrophenyl)urea Traditional Name: 1-(3-imidazol-1-ylpropyl)-3-(2-methyl-4-nitro-phenyl)urea Formula: C14H17N5O3 MolecularWeight: 303.31648

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCCCN2C=CN=C2

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])NC(=O)NCCCN2C=CN=C2

InChI

InChI=1S/C14H17N5O3/c1-11-9-12(19(21)22)3-4-13(11)17-14(20)16-5-2-7-18-8-6-15-10-18/h3-4,6,8-10H,2,5,7H2,1H3,(H2,16,17,20)