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

Systemtic Name: methyl 4-(2-cyano-1-pyridin-3-yl-ethyl)-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-1H-pyrrole-2-carboxylate Openeye Name: methyl 4-[2-cyano-1-(3-pyridyl)ethyl]-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-1H-pyrrole-2-carboxylate CAS Name: 3-[[(Z)-amino(methoxycarbonylimino)methyl]-methoxycarbonylamino]-4-[2-cyano-1-(3-pyridinyl)ethyl]-1H-pyrrole-2-carboxylic acid methyl ester IUPAC Name: methyl 4-(2-cyano-1-pyridin-3-ylethyl)-3-[methoxycarbonyl-[(Z)-N'-methoxycarbonylcarbamimidoyl]amino]-1H-pyrrole-2-carboxylate Traditional Name: 3-[carbomethoxy-[(Z)-N'-carbomethoxyamidino]amino]-4-[2-cyano-1-(3-pyridyl)ethyl]-1H-pyrrole-2-carboxylic acid methyl ester Formula: C19H20N6O6 MolecularWeight: 428.3987

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H20N6O6/c1-29-16(26)14-15(25(19(28)31-3)17(21)24-18(27)30-2)13(10-23-14)12(6-7-20)11-5-4-8-22-9-11/h4-5,8-10,12,23H,6H2,1-3H3,(H2,21,24,27)