1-[4-[(Z)-C-(bromomethyl)-N-pyridin-2-yl-carbonimidoyl]-2-methyl-6-nitro-phenyl]-3-propyl-urea

Systemtic Name: 1-[4-[(Z)-C-(bromomethyl)-N-pyridin-2-yl-carbonimidoyl]-2-methyl-6-nitro-phenyl]-3-propyl-urea Openeye Name: 1-[4-[(Z)-C-(bromomethyl)-N-(2-pyridyl)carbonimidoyl]-2-methyl-6-nitro-phenyl]-3-propyl-urea CAS Name: 1-[4-[(1Z)-2-bromo-1-(2-pyridinylimino)ethyl]-2-methyl-6-nitrophenyl]-3-propylurea IUPAC Name: 1-[4-[(Z)-C-(bromomethyl)-N-pyridin-2-ylcarbonimidoyl]-2-methyl-6-nitrophenyl]-3-propylurea Traditional Name: 1-[4-[(Z)-C-(bromomethyl)-N-(2-pyridyl)carbonimidoyl]-2-methyl-6-nitro-phenyl]-3-propyl-urea Formula: C18H20BrN5O3 MolecularWeight: 434.2871

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Descriptors Computed from Structure

Canonical SMILES:

CCCNC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])C(=NC2=CC=CC=N2)CBr)C

Isomeric SMILES

CCCNC(=O)NC1=C(C=C(C=C1[N+](=O)[O-])/C(=N/C2=CC=CC=N2)/CBr)C

InChI

InChI=1S/C18H20BrN5O3/c1-3-7-21-18(25)23-17-12(2)9-13(10-15(17)24(26)27)14(11-19)22-16-6-4-5-8-20-16/h4-6,8-10H,3,7,11H2,1-2H3,(H2,21,23,25)/b22-14+