3,5-dinitro-4-(4-phenylpiperazin-1-yl)benzoate

Systemtic Name: 3,5-dinitro-4-(4-phenylpiperazin-1-yl)benzoate Openeye Name: 3,5-dinitro-4-(4-phenylpiperazin-1-yl)benzoate CAS Name: 3,5-dinitro-4-(4-phenyl-1-piperazinyl)benzoate IUPAC Name: 3,5-dinitro-4-(4-phenylpiperazin-1-yl)benzoate Traditional Name: 3,5-dinitro-4-(4-phenylpiperazino)benzoate Formula: C17H15N4O6- MolecularWeight: 371.3242

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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-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C17H16N4O6/c22-17(23)12-10-14(20(24)25)16(15(11-12)21(26)27)19-8-6-18(7-9-19)13-4-2-1-3-5-13/h1-5,10-11H,6-9H2,(H,22,23)/p-1