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

Systemtic Name: methyl 4-[3-chloranyl-4-(4-methylpiperazin-1-yl)-2,5-bis(oxidanylidene)pyrrol-1-yl]benzoate Openeye Name: methyl 4-[3-chloro-4-(4-methylpiperazin-1-yl)-2,5-dioxo-pyrrol-1-yl]benzoate CAS Name: 4-[3-chloro-4-(4-methyl-1-piperazinyl)-2,5-dioxo-1-pyrrolyl]benzoic acid methyl ester IUPAC Name: methyl 4-[3-chloro-4-(4-methylpiperazin-1-yl)-2,5-dioxopyrrol-1-yl]benzoate Traditional Name: 4-[3-chloro-2,5-diketo-4-(4-methylpiperazino)-3-pyrrolin-1-yl]benzoic acid methyl ester Formula: C17H18ClN3O4 MolecularWeight: 363.79552

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C(=O)N(C2=O)C3=CC=C(C=C3)C(=O)OC)Cl

InChI

InChI=1S/C17H18ClN3O4/c1-19-7-9-20(10-8-19)14-13(18)15(22)21(16(14)23)12-5-3-11(4-6-12)17(24)25-2/h3-6H,7-10H2,1-2H3