4-[1,4-bis(oxidanyl)-3-(3-phenylpropylamino)quinoxalin-2-yl]benzene-1,2-diolate

Systemtic Name: 4-[1,4-bis(oxidanyl)-3-(3-phenylpropylamino)quinoxalin-2-yl]benzene-1,2-diolate Openeye Name: 4-[1,4-dihydroxy-3-(3-phenylpropylamino)quinoxalin-2-yl]benzene-1,2-diolate CAS Name: 4-[1,4-dihydroxy-3-(3-phenylpropylamino)-2-quinoxalinyl]benzene-1,2-diolate IUPAC Name: 4-[1,4-dihydroxy-3-(3-phenylpropylamino)quinoxalin-2-yl]benzene-1,2-diolate Traditional Name: 4-[1,4-dihydroxy-3-(3-phenylpropylamino)quinoxalin-2-yl]benzene-1,2-diolate Formula: C23H21N3O4-2 MolecularWeight: 403.43054

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCCNC2=C(N(C3=CC=CC=C3N2O)O)C4=CC(=C(C=C4)[O-])[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCCNC2=C(N(C3=CC=CC=C3N2O)O)C4=CC(=C(C=C4)[O-])[O-]

InChI

InChI=1S/C23H23N3O4/c27-20-13-12-17(15-21(20)28)22-23(24-14-6-9-16-7-2-1-3-8-16)26(30)19-11-5-4-10-18(19)25(22)29/h1-5,7-8,10-13,15,24,27-30H,6,9,14H2/p-2