4-(4-ethoxycarbonylpiperazin-1-yl)-3-nitro-benzoic acid

Systemtic Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-nitro-benzoic acid Openeye Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-nitro-benzoic acid CAS Name: 4-(4-ethoxycarbonyl-1-piperazinyl)-3-nitrobenzoic acid IUPAC Name: 4-(4-ethoxycarbonylpiperazin-1-yl)-3-nitrobenzoic acid Traditional Name: 4-(4-carbethoxypiperazino)-3-nitro-benzoic acid Formula: C14H17N3O6 MolecularWeight: 323.30128

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H17N3O6/c1-2-23-14(20)16-7-5-15(6-8-16)11-4-3-10(13(18)19)9-12(11)17(21)22/h3-4,9H,2,5-8H2,1H3,(H,18,19)