3-nitro-4-[4-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbonyl]piperazin-1-yl]benzoic acid

Systemtic Name: 3-nitro-4-[4-[(2-pyridin-3-yl-1,3-benzoxazol-5-yl)carbonyl]piperazin-1-yl]benzoic acid Openeye Name: 3-nitro-4-[4-[2-(3-pyridyl)-1,3-benzoxazole-5-carbonyl]piperazin-1-yl]benzoic acid CAS Name: 3-nitro-4-[4-[oxo-[2-(3-pyridinyl)-1,3-benzoxazol-5-yl]methyl]-1-piperazinyl]benzoic acid IUPAC Name: 3-nitro-4-[4-(2-pyridin-3-yl-1,3-benzoxazole-5-carbonyl)piperazin-1-yl]benzoic acid Traditional Name: 3-nitro-4-[4-[2-(3-pyridyl)-1,3-benzoxazole-5-carbonyl]piperazino]benzoic acid Formula: C24H19N5O6 MolecularWeight: 473.43756

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

Isomeric SMILES

C1CN(CCN1C2=C(C=C(C=C2)C(=O)O)[N+](=O)[O-])C(=O)C3=CC4=C(C=C3)OC(=N4)C5=CN=CC=C5

InChI

InChI=1S/C24H19N5O6/c30-23(15-4-6-21-18(12-15)26-22(35-21)17-2-1-7-25-14-17)28-10-8-27(9-11-28)19-5-3-16(24(31)32)13-20(19)29(33)34/h1-7,12-14H,8-11H2,(H,31,32)