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

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

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CC1CCCN(C1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C18H19ClN2O4/c1-11-4-3-9-20(10-11)15-14(19)16(22)21(17(15)23)13-7-5-12(6-8-13)18(24)25-2/h5-8,11H,3-4,9-10H2,1-2H3