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

Systemtic Name: butyl 2-[3-chloranyl-4-(cyclohexylamino)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: butyl 2-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 2-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-1-pyrrolyl]benzoic acid butyl ester IUPAC Name: butyl 2-[3-chloro-4-(cyclohexylamino)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 2-[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=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3CCCCC3

Isomeric SMILES

CCCCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3CCCCC3

InChI

InChI=1S/C21H25ClN2O4/c1-2-3-13-28-21(27)15-11-7-8-12-16(15)24-19(25)17(22)18(20(24)26)23-14-9-5-4-6-10-14/h7-8,11-12,14,23H,2-6,9-10,13H2,1H3