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

Systemtic Name: 5-nitro-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoic acid Openeye Name: 5-nitro-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoic acid CAS Name: 5-nitro-2-[2-(4-phenyl-1-piperazinyl)ethylamino]benzoic acid IUPAC Name: 5-nitro-2-[2-(4-phenylpiperazin-1-yl)ethylamino]benzoic acid Traditional Name: 5-nitro-2-[2-(4-phenylpiperazino)ethylamino]benzoic acid Formula: C19H22N4O4 MolecularWeight: 370.40238

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=C3

Isomeric SMILES

C1CN(CCN1CCNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)O)C3=CC=CC=C3

InChI

InChI=1S/C19H22N4O4/c24-19(25)17-14-16(23(26)27)6-7-18(17)20-8-9-21-10-12-22(13-11-21)15-4-2-1-3-5-15/h1-7,14,20H,8-13H2,(H,24,25)