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

Systemtic Name: ethyl 3-[3-chloranyl-4-(cyclohexylamino)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: ethyl 3-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 3-[3-chloro-4-(cyclohexylamino)-2,5-dioxo-1-pyrrolyl]benzoic acid ethyl ester IUPAC Name: ethyl 3-[3-chloro-4-(cyclohexylamino)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 3-[3-chloro-4-(cyclohexylamino)-2,5-diketo-3-pyrrolin-1-yl]benzoic acid ethyl ester Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21ClN2O4/c1-2-26-19(25)12-7-6-10-14(11-12)22-17(23)15(20)16(18(22)24)21-13-8-4-3-5-9-13/h6-7,10-11,13,21H,2-5,8-9H2,1H3