4-nitro-3-[2-oxidanylidene-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]benzoic acid

Systemtic Name: 4-nitro-3-[2-oxidanylidene-2-[4-[2-oxidanylidene-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]benzoic acid Openeye Name: 3-[2-[4-[2-(isopropylamino)-2-oxo-ethyl]piperazin-1-yl]-2-oxo-ethoxy]-4-nitro-benzoic acid CAS Name: 4-nitro-3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]-1-piperazinyl]ethoxy]benzoic acid IUPAC Name: 4-nitro-3-[2-oxo-2-[4-[2-oxo-2-(propan-2-ylamino)ethyl]piperazin-1-yl]ethoxy]benzoic acid Traditional Name: 3-[2-[4-[2-(isopropylamino)-2-keto-ethyl]piperazino]-2-keto-ethoxy]-4-nitro-benzoic acid Formula: C18H24N4O7 MolecularWeight: 408.40576

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)CN1CCN(CC1)C(=O)COC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC(C)NC(=O)CN1CCN(CC1)C(=O)COC2=C(C=CC(=C2)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H24N4O7/c1-12(2)19-16(23)10-20-5-7-21(8-6-20)17(24)11-29-15-9-13(18(25)26)3-4-14(15)22(27)28/h3-4,9,12H,5-8,10-11H2,1-2H3,(H,19,23)(H,25,26)