4-[(4-methylpiperazin-1-yl)methyl]-2-nitro-benzoic acid

Systemtic Name: 4-[(4-methylpiperazin-1-yl)methyl]-2-nitro-benzoic acid Openeye Name: 4-[(4-methylpiperazin-1-yl)methyl]-2-nitro-benzoic acid CAS Name: 4-[(4-methyl-1-piperazinyl)methyl]-2-nitrobenzoic acid IUPAC Name: 4-[(4-methylpiperazin-1-yl)methyl]-2-nitrobenzoic acid Traditional Name: 4-[(4-methylpiperazino)methyl]-2-nitro-benzoic acid Formula: C13H17N3O4 MolecularWeight: 279.29178

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Descriptors Computed from Structure

Canonical SMILES:

CN1CCN(CC1)CC2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CN1CCN(CC1)CC2=CC(=C(C=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O4/c1-14-4-6-15(7-5-14)9-10-2-3-11(13(17)18)12(8-10)16(19)20/h2-3,8H,4-7,9H2,1H3,(H,17,18)