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

Systemtic Name: propan-2-yl 4-[3-(azepan-1-yl)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: isopropyl 4-[3-(azepan-1-yl)-4-chloro-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-(1-azepanyl)-4-chloro-2,5-dioxo-1-pyrrolyl]benzoic acid propan-2-yl ester IUPAC Name: propan-2-yl 4-[3-(azepan-1-yl)-4-chloro-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-(azepan-1-yl)-4-chloro-2,5-diketo-3-pyrrolin-1-yl]benzoic acid isopropyl ester Formula: C20H23ClN2O4 MolecularWeight: 390.86062

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

Isomeric SMILES

CC(C)OC(=O)C1=CC=C(C=C1)N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

InChI

InChI=1S/C20H23ClN2O4/c1-13(2)27-20(26)14-7-9-15(10-8-14)23-18(24)16(21)17(19(23)25)22-11-5-3-4-6-12-22/h7-10,13H,3-6,11-12H2,1-2H3