[2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate

Systemtic Name: [2-[(1-methylpyrrol-2-yl)carbonylamino]-2-oxidanylidene-ethyl] 3,4,5-triethoxybenzoate Openeye Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxo-ethyl] 3,4,5-triethoxybenzoate CAS Name: 3,4,5-triethoxybenzoic acid [2-[[(1-methyl-2-pyrrolyl)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methylpyrrole-2-carbonyl)amino]-2-oxoethyl] 3,4,5-triethoxybenzoate Traditional Name: 3,4,5-triethoxybenzoic acid [2-keto-2-[(1-methylpyrrole-2-carbonyl)amino]ethyl] ester Formula: C21H26N2O7 MolecularWeight: 418.44034

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC(=O)C2=CC=CN2C

Isomeric SMILES

CCOC1=CC(=CC(=C1OCC)OCC)C(=O)OCC(=O)NC(=O)C2=CC=CN2C

InChI

InChI=1S/C21H26N2O7/c1-5-27-16-11-14(12-17(28-6-2)19(16)29-7-3)21(26)30-13-18(24)22-20(25)15-9-8-10-23(15)4/h8-12H,5-7,13H2,1-4H3,(H,22,24,25)