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

Systemtic Name: propyl 3-[3-chloranyl-4-(cyclohexylamino)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H23ClN2O4/c1-2-11-27-20(26)13-7-6-10-15(12-13)23-18(24)16(21)17(19(23)25)22-14-8-4-3-5-9-14/h6-7,10,12,14,22H,2-5,8-9,11H2,1H3