1-carbamimidoyl-1-(2,6-diethyl-4-nitro-phenyl)-3-methoxy-urea hydrochloride

Systemtic Name: 1-carbamimidoyl-1-(2,6-diethyl-4-nitro-phenyl)-3-methoxy-urea hydrochloride Openeye Name: 1-carbamimidoyl-1-(2,6-diethyl-4-nitro-phenyl)-3-methoxy-urea hydrochloride CAS Name: 1-carbamimidoyl-1-(2,6-diethyl-4-nitrophenyl)-3-methoxyurea hydrochloride IUPAC Name: 1-carbamimidoyl-1-(2,6-diethyl-4-nitrophenyl)-3-methoxyurea hydrochloride Traditional Name: 1-amidino-1-(2,6-diethyl-4-nitro-phenyl)-3-methoxy-urea hydrochloride Formula: C13H20ClN5O4 MolecularWeight: 345.782

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=CC(=C1N(C(=N)N)C(=O)NOC)CC)[N+](=O)[O-].Cl

Isomeric SMILES

CCC1=CC(=CC(=C1N(C(=N)N)C(=O)NOC)CC)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H19N5O4.ClH/c1-4-8-6-10(18(20)21)7-9(5-2)11(8)17(12(14)15)13(19)16-22-3;/h6-7H,4-5H2,1-3H3,(H3,14,15)(H,16,19);1H