1-heptan-2-yl-3-[2-[(2-nitrophenyl)amino]ethyl]urea

Systemtic Name: 1-heptan-2-yl-3-[2-[(2-nitrophenyl)amino]ethyl]urea Openeye Name: 1-(1-methylhexyl)-3-[2-(2-nitroanilino)ethyl]urea CAS Name: 1-heptan-2-yl-3-[2-(2-nitroanilino)ethyl]urea IUPAC Name: 1-heptan-2-yl-3-[2-(2-nitroanilino)ethyl]urea Traditional Name: 1-(1-methylhexyl)-3-[2-(2-nitroanilino)ethyl]urea Formula: C16H26N4O3 MolecularWeight: 322.40264

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCC(C)NC(=O)NCCNC1=CC=CC=C1[N+](=O)[O-]

Isomeric SMILES

CCCCCC(C)NC(=O)NCCNC1=CC=CC=C1[N+](=O)[O-]

InChI

InChI=1S/C16H26N4O3/c1-3-4-5-8-13(2)19-16(21)18-12-11-17-14-9-6-7-10-15(14)20(22)23/h6-7,9-10,13,17H,3-5,8,11-12H2,1-2H3,(H2,18,19,21)