2-[2-nitro-4-[(4-piperazin-1-ylphenyl)carbonylamino]phenoxy]ethanoic acid

Systemtic Name: 2-[2-nitro-4-[(4-piperazin-1-ylphenyl)carbonylamino]phenoxy]ethanoic acid Openeye Name: 2-[2-nitro-4-[(4-piperazin-1-ylbenzoyl)amino]phenoxy]acetic acid CAS Name: 2-[2-nitro-4-[[oxo-[4-(1-piperazinyl)phenyl]methyl]amino]phenoxy]acetic acid IUPAC Name: 2-[2-nitro-4-[(4-piperazin-1-ylbenzoyl)amino]phenoxy]acetic acid Traditional Name: 2-[2-nitro-4-[(4-piperazinobenzoyl)amino]phenoxy]acetic acid Formula: C19H20N4O6 MolecularWeight: 400.3853

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Descriptors Computed from Structure

Canonical SMILES:

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1CN(CCN1)C2=CC=C(C=C2)C(=O)NC3=CC(=C(C=C3)OCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C19H20N4O6/c24-18(25)12-29-17-6-3-14(11-16(17)23(27)28)21-19(26)13-1-4-15(5-2-13)22-9-7-20-8-10-22/h1-6,11,20H,7-10,12H2,(H,21,26)(H,24,25)