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

Systemtic Name: 3-nitro-4-(4-phenylpiperazin-1-yl)benzoic acid Openeye Name: 3-nitro-4-(4-phenylpiperazin-1-yl)benzoic acid CAS Name: 3-nitro-4-(4-phenyl-1-piperazinyl)benzoic acid IUPAC Name: 3-nitro-4-(4-phenylpiperazin-1-yl)benzoic acid Traditional Name: 3-nitro-4-(4-phenylpiperazino)benzoic acid Formula: C17H17N3O4 MolecularWeight: 327.33458

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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