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

Systemtic Name: methyl 2-[3-chloranyl-4-(cycloheptylamino)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: methyl 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 methyl ester IUPAC Name: methyl 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 methyl ester Formula: C19H21ClN2O4 MolecularWeight: 376.83404

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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