[2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate

Systemtic Name: [2-[[2-[(3-chloranyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 4-ethanoyl-1H-pyrrole-2-carboxylate Openeye Name: [2-[[2-(3-chloro-2-methyl-anilino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 4-acetyl-1H-pyrrole-2-carboxylate CAS Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(3-chloro-2-methylanilino)-2-oxoethyl]amino]-2-oxoethyl] 4-acetyl-1H-pyrrole-2-carboxylate Traditional Name: 4-acetyl-1H-pyrrole-2-carboxylic acid [2-[[2-(3-chloro-2-methyl-anilino)-2-keto-ethyl]amino]-2-keto-ethyl] ester Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)COC(=O)C2=CC(=CN2)C(=O)C

Isomeric SMILES

CC1=C(C=CC=C1Cl)NC(=O)CNC(=O)COC(=O)C2=CC(=CN2)C(=O)C

InChI

InChI=1S/C18H18ClN3O5/c1-10-13(19)4-3-5-14(10)22-16(24)8-21-17(25)9-27-18(26)15-6-12(7-20-15)11(2)23/h3-7,20H,8-9H2,1-2H3,(H,21,25)(H,22,24)