2-nitro-5-(4-propan-2-ylpiperazin-1-yl)benzoic acid

Systemtic Name: 2-nitro-5-(4-propan-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 5-(4-isopropylpiperazin-1-yl)-2-nitro-benzoic acid CAS Name: 2-nitro-5-(4-propan-2-yl-1-piperazinyl)benzoic acid IUPAC Name: 2-nitro-5-(4-propan-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 5-(4-isopropylpiperazino)-2-nitro-benzoic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)N1CCN(CC1)C2=CC(=C(C=C2)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C14H19N3O4/c1-10(2)15-5-7-16(8-6-15)11-3-4-13(17(20)21)12(9-11)14(18)19/h3-4,9-10H,5-8H2,1-2H3,(H,18,19)