methyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate

Systemtic Name: methyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate Openeye Name: methyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(3-pyridylmethyl)-1H-pyrrole-2-carboxylate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-(3-pyridinylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-4-(pyridin-3-ylmethyl)-1H-pyrrole-2-carboxylate Traditional Name: 3-[carbomethoxy-[(Z)-N'-carbomethoxyamidino]amino]-4-(3-pyridylmethyl)-1H-pyrrole-2-carboxylic acid methyl ester Formula: C17H19N5O6 MolecularWeight: 389.36266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C(C(=CN1)CC2=CN=CC=C2)N(C(=NC(=O)OC)N)C(=O)OC

Isomeric SMILES

COC(=O)C1=C(C(=CN1)CC2=CN=CC=C2)N(/C(=N\C(=O)OC)/N)C(=O)OC

InChI

InChI=1S/C17H19N5O6/c1-26-14(23)12-13(11(9-20-12)7-10-5-4-6-19-8-10)22(17(25)28-3)15(18)21-16(24)27-2/h4-6,8-9,20H,7H2,1-3H3,(H2,18,21,24)