(2,4,6-trimethylcyclohexyl) 5-[bis(2-ethoxy-2-oxidanylidene-ethyl)carbamoyloxy]-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate

Systemtic Name: (2,4,6-trimethylcyclohexyl) 5-[bis(2-ethoxy-2-oxidanylidene-ethyl)carbamoyloxy]-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Openeye Name: (2,4,6-trimethylcyclohexyl) 5-[bis(2-ethoxy-2-oxo-ethyl)carbamoyloxy]-6-isocyano-2-(p-tolyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate CAS Name: 5-[[bis(2-ethoxy-2-oxoethyl)amino]-oxomethoxy]-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid (2,4,6-trimethylcyclohexyl) ester IUPAC Name: (2,4,6-trimethylcyclohexyl) 5-[bis(2-ethoxy-2-oxoethyl)carbamoyloxy]-6-isocyano-2-(4-methylphenyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylate Traditional Name: 5-[bis(2-ethoxy-2-keto-ethyl)carbamoyloxy]-6-isocyano-2-(p-tolyl)-3H-pyrrolo[1,2-b][1,2,4]triazole-7-carboxylic acid (2,4,6-trimethylcyclohexyl) ester Formula: C32H39N5O8 MolecularWeight: 621.68076

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)CN(CC(=O)OCC)C(=O)OC1=C(C(=C2N1NC(=N2)C3=CC=C(C=C3)C)C(=O)OC4C(CC(CC4C)C)C)[N+]#[C-]

Isomeric SMILES

CCOC(=O)CN(CC(=O)OCC)C(=O)OC1=C(C(=C2N1NC(=N2)C3=CC=C(C=C3)C)C(=O)OC4C(CC(CC4C)C)C)[N+]#[C-]

InChI

InChI=1S/C32H39N5O8/c1-8-42-23(38)16-36(17-24(39)43-9-2)32(41)45-30-26(33-7)25(31(40)44-27-20(5)14-19(4)15-21(27)6)29-34-28(35-37(29)30)22-12-10-18(3)11-13-22/h10-13,19-21,27H,8-9,14-17H2,1-6H3,(H,34,35)