[2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[3-(diethylcarbamoyl)phenyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxo-ethyl] 4-bromo-1H-pyrrole-2-carboxylate CAS Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[3-[diethylamino(oxo)methyl]anilino]-2-oxoethyl] ester IUPAC Name: [2-[3-(diethylcarbamoyl)anilino]-2-oxoethyl] 4-bromo-1H-pyrrole-2-carboxylate Traditional Name: 4-bromo-1H-pyrrole-2-carboxylic acid [2-[3-(diethylcarbamoyl)anilino]-2-keto-ethyl] ester Formula: C18H20BrN3O4 MolecularWeight: 422.2731

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=CN2)Br

Isomeric SMILES

CCN(CC)C(=O)C1=CC(=CC=C1)NC(=O)COC(=O)C2=CC(=CN2)Br

InChI

InChI=1S/C18H20BrN3O4/c1-3-22(4-2)17(24)12-6-5-7-14(8-12)21-16(23)11-26-18(25)15-9-13(19)10-20-15/h5-10,20H,3-4,11H2,1-2H3,(H,21,23)