ethyl 5-[(4-iodophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate

Systemtic Name: ethyl 5-[(4-iodophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate Openeye Name: ethyl 5-[(4-iodophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate CAS Name: 5-[[(4-iodoanilino)-oxomethyl]amino]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester IUPAC Name: ethyl 5-[(4-iodophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylate Traditional Name: 5-[(4-iodophenyl)carbamoylamino]-2,4-dimethyl-1H-pyrrole-3-carboxylic acid ethyl ester Formula: C16H18IN3O3 MolecularWeight: 427.23689

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(NC(=C1C)NC(=O)NC2=CC=C(C=C2)I)C

Isomeric SMILES

CCOC(=O)C1=C(NC(=C1C)NC(=O)NC2=CC=C(C=C2)I)C

InChI

InChI=1S/C16H18IN3O3/c1-4-23-15(21)13-9(2)14(18-10(13)3)20-16(22)19-12-7-5-11(17)6-8-12/h5-8,18H,4H2,1-3H3,(H2,19,20,22)