2-(3-nitro-4-piperazin-1-yl-phenyl)carbonylbenzoic acid

Systemtic Name: 2-(3-nitro-4-piperazin-1-yl-phenyl)carbonylbenzoic acid Openeye Name: 2-(3-nitro-4-piperazin-1-yl-benzoyl)benzoic acid CAS Name: 2-[[3-nitro-4-(1-piperazinyl)phenyl]-oxomethyl]benzoic acid IUPAC Name: 2-(3-nitro-4-piperazin-1-ylbenzoyl)benzoic acid Traditional Name: 2-(3-nitro-4-piperazino-benzoyl)benzoic acid Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=C(C=C(C=C2)C(=O)C3=CC=CC=C3C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H17N3O5/c22-17(13-3-1-2-4-14(13)18(23)24)12-5-6-15(16(11-12)21(25)26)20-9-7-19-8-10-20/h1-6,11,19H,7-10H2,(H,23,24)