4-(4-methylpiperazin-1-yl)-3-nitro-benzoic acid hydrochloride

Systemtic Name: 4-(4-methylpiperazin-1-yl)-3-nitro-benzoic acid hydrochloride Openeye Name: 4-(4-methylpiperazin-1-yl)-3-nitro-benzoic acid hydrochloride CAS Name: 4-(4-methyl-1-piperazinyl)-3-nitrobenzoic acid hydrochloride IUPAC Name: 4-(4-methylpiperazin-1-yl)-3-nitrobenzoic acid hydrochloride Traditional Name: 4-(4-methylpiperazino)-3-nitro-benzoic acid hydrochloride Formula: C12H16ClN3O4 MolecularWeight: 301.72614

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4.ClH/c1-13-4-6-14(7-5-13)10-3-2-9(12(16)17)8-11(10)15(18)19;/h2-3,8H,4-7H2,1H3,(H,16,17);1H