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

Systemtic Name: 3-nitro-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid Openeye Name: 4-(4-isopropylpiperazin-1-yl)-3-nitro-benzoic acid CAS Name: 3-nitro-4-(4-propan-2-yl-1-piperazinyl)benzoic acid IUPAC Name: 3-nitro-4-(4-propan-2-ylpiperazin-1-yl)benzoic acid Traditional Name: 4-(4-isopropylpiperazino)-3-nitro-benzoic acid Formula: C14H19N3O4 MolecularWeight: 293.31836

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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