[2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[(1-methoxy-3-methyl-1-oxidanylidene-pentan-2-yl)amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[(1-methoxycarbonyl-2-methyl-butyl)amino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-methoxy-3-methyl-1-oxopentan-2-yl)amino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[(1-carbomethoxy-2-methyl-butyl)amino]-2-keto-ethyl] ester Formula: C14H19BrN2O5 MolecularWeight: 375.21506

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=CC(=CN1)Br

Isomeric SMILES

CCC(C)C(C(=O)OC)NC(=O)COC(=O)C1=CC(=CN1)Br

InChI

InChI=1S/C14H19BrN2O5/c1-4-8(2)12(14(20)21-3)17-11(18)7-22-13(19)10-5-9(15)6-16-10/h5-6,8,12,16H,4,7H2,1-3H3,(H,17,18)