5-nitro-2-(4-phenylpiperazin-1-yl)benzoic acid

Systemtic Name: 5-nitro-2-(4-phenylpiperazin-1-yl)benzoic acid Openeye Name: 5-nitro-2-(4-phenylpiperazin-1-yl)benzoic acid CAS Name: 5-nitro-2-(4-phenyl-1-piperazinyl)benzoic acid IUPAC Name: 5-nitro-2-(4-phenylpiperazin-1-yl)benzoic acid Traditional Name: 5-nitro-2-(4-phenylpiperazino)benzoic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

C1CN(CCN1C2=CC=CC=C2)C3=C(C=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C17H17N3O4/c21-17(22)15-12-14(20(23)24)6-7-16(15)19-10-8-18(9-11-19)13-4-2-1-3-5-13/h1-7,12H,8-11H2,(H,21,22)