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

Systemtic Name: methyl 2-[3-(azepan-1-yl)-4-chloranyl-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: methyl 2-[3-(azepan-1-yl)-4-chloro-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 2-[3-(1-azepanyl)-4-chloro-2,5-dioxo-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 2-[3-(azepan-1-yl)-4-chloro-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 2-[3-(azepan-1-yl)-4-chloro-2,5-diketo-3-pyrrolin-1-yl]benzoic acid methyl ester Formula: C18H19ClN2O4 MolecularWeight: 362.80746

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

Isomeric SMILES

COC(=O)C1=CC=CC=C1N2C(=O)C(=C(C2=O)Cl)N3CCCCCC3

InChI

InChI=1S/C18H19ClN2O4/c1-25-18(24)12-8-4-5-9-13(12)21-16(22)14(19)15(17(21)23)20-10-6-2-3-7-11-20/h4-5,8-9H,2-3,6-7,10-11H2,1H3