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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3CCCCCC3

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)NC3CCCCCC3

InChI

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