butyl 4-[3-chloranyl-4-(cyclohexylamino)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate

Systemtic Name: butyl 4-[3-chloranyl-4-(cyclohexylamino)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: butyl 4-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 4-[3-chloro-4-(cyclohexylamino)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-4-(cyclohexylamino)-2,5-diketo-3-pyrrolin-1-yl]benzoic acid butyl ester Formula: C21H25ClN2O4 MolecularWeight: 404.8872

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)NC3CCCCC3

InChI

InChI=1S/C21H25ClN2O4/c1-2-3-13-28-21(27)14-9-11-16(12-10-14)24-19(25)17(22)18(20(24)26)23-15-7-5-4-6-8-15/h9-12,15,23H,2-8,13H2,1H3