3-ethyl-5-(ethylamino)-4-(hexylamino)-6-(4-nitrophenyl)benzene-1,2-diol

Systemtic Name: 3-ethyl-5-(ethylamino)-4-(hexylamino)-6-(4-nitrophenyl)benzene-1,2-diol Openeye Name: 3-ethyl-5-(ethylamino)-4-(hexylamino)-6-(4-nitrophenyl)benzene-1,2-diol CAS Name: 3-ethyl-5-(ethylamino)-4-(hexylamino)-6-(4-nitrophenyl)benzene-1,2-diol IUPAC Name: 3-ethyl-5-(ethylamino)-4-(hexylamino)-6-(4-nitrophenyl)benzene-1,2-diol Traditional Name: 3-ethyl-5-(ethylamino)-4-(hexylamino)-6-(4-nitrophenyl)pyrocatechol Formula: C22H31N3O4 MolecularWeight: 401.49924

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCNC1=C(C(=C(C(=C1NCC)C2=CC=C(C=C2)[N+](=O)[O-])O)O)CC

Isomeric SMILES

CCCCCCNC1=C(C(=C(C(=C1NCC)C2=CC=C(C=C2)[N+](=O)[O-])O)O)CC

InChI

InChI=1S/C22H31N3O4/c1-4-7-8-9-14-24-19-17(5-2)21(26)22(27)18(20(19)23-6-3)15-10-12-16(13-11-15)25(28)29/h10-13,23-24,26-27H,4-9,14H2,1-3H3