ethyl 2,5-dimethyl-4-(2-oxidanylidenepropyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate

Systemtic Name: ethyl 2,5-dimethyl-4-(2-oxidanylidenepropyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Openeye Name: ethyl 4-acetonyl-2,5-dimethyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylate CAS Name: 1-[[anilino(oxo)methyl]amino]-2,5-dimethyl-4-(2-oxopropyl)-3-pyrrolecarboxylic acid ethyl ester IUPAC Name: ethyl 2,5-dimethyl-4-(2-oxopropyl)-1-(phenylcarbamoylamino)pyrrole-3-carboxylate Traditional Name: 4-acetonyl-2,5-dimethyl-1-(phenylcarbamoylamino)pyrrole-3-carboxylic acid ethyl ester Formula: C19H23N3O4 MolecularWeight: 357.40362

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(N(C(=C1CC(=O)C)C)NC(=O)NC2=CC=CC=C2)C

Isomeric SMILES

CCOC(=O)C1=C(N(C(=C1CC(=O)C)C)NC(=O)NC2=CC=CC=C2)C

InChI

InChI=1S/C19H23N3O4/c1-5-26-18(24)17-14(4)22(13(3)16(17)11-12(2)23)21-19(25)20-15-9-7-6-8-10-15/h6-10H,5,11H2,1-4H3,(H2,20,21,25)