methyl 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate hydrochloride

Systemtic Name: methyl 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate hydrochloride Openeye Name: methyl 4-(4-methylpiperazin-1-yl)-3-nitro-benzoate hydrochloride CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitrobenzoic acid methyl ester hydrochloride IUPAC Name: methyl 4-(4-methylpiperazin-1-yl)-3-nitrobenzoate hydrochloride Traditional Name: 4-(4-methylpiperazino)-3-nitro-benzoic acid methyl ester hydrochloride Formula: C13H18ClN3O4 MolecularWeight: 315.75272

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-].Cl

Isomeric SMILES

CN1CCN(CC1)C2=C(C=C(C=C2)C(=O)OC)[N+](=O)[O-].Cl

InChI

InChI=1S/C13H17N3O4.ClH/c1-14-5-7-15(8-6-14)11-4-3-10(13(17)20-2)9-12(11)16(18)19;/h3-4,9H,5-8H2,1-2H3;1H