(4-nitrophenyl) 4-[carbamimidoyl(methyl)amino]benzoate hydrochloride

Systemtic Name: (4-nitrophenyl) 4-[carbamimidoyl(methyl)amino]benzoate hydrochloride Openeye Name: (4-nitrophenyl) 4-[carbamimidoyl(methyl)amino]benzoate hydrochloride CAS Name: 4-[carbamimidoyl(methyl)amino]benzoic acid (4-nitrophenyl) ester hydrochloride IUPAC Name: (4-nitrophenyl) 4-[carbamimidoyl(methyl)amino]benzoate hydrochloride Traditional Name: 4-[amidino(methyl)amino]benzoic acid (4-nitrophenyl) ester hydrochloride Formula: C15H15ClN4O4 MolecularWeight: 350.757

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=N)N.Cl

Isomeric SMILES

CN(C1=CC=C(C=C1)C(=O)OC2=CC=C(C=C2)[N+](=O)[O-])C(=N)N.Cl

InChI

InChI=1S/C15H14N4O4.ClH/c1-18(15(16)17)11-4-2-10(3-5-11)14(20)23-13-8-6-12(7-9-13)19(21)22;/h2-9H,1H3,(H3,16,17);1H