2-(4-methylpiperazin-1-yl)carbonyl-4-nitro-benzoic acid

Systemtic Name: 2-(4-methylpiperazin-1-yl)carbonyl-4-nitro-benzoic acid Openeye Name: 2-(4-methylpiperazine-1-carbonyl)-4-nitro-benzoic acid CAS Name: 2-[(4-methyl-1-piperazinyl)-oxomethyl]-4-nitrobenzoic acid IUPAC Name: 2-(4-methylpiperazine-1-carbonyl)-4-nitrobenzoic acid Traditional Name: 2-(4-methylpiperazine-1-carbonyl)-4-nitro-benzoic acid Formula: C13H15N3O5 MolecularWeight: 293.2753

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O5/c1-14-4-6-15(7-5-14)12(17)11-8-9(16(20)21)2-3-10(11)13(18)19/h2-3,8H,4-7H2,1H3,(H,18,19)