1-[[2-(2-hydroxyethyl)phenyl]amino]-8-nitro-4,5-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1-[[2-(2-hydroxyethyl)phenyl]amino]-8-nitro-4,5-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,8-dihydroxy-4-[2-(2-hydroxyethyl)anilino]-5-nitro-anthracene-9,10-dione CAS Name: 1,8-dihydroxy-4-[2-(2-hydroxyethyl)anilino]-5-nitroanthracene-9,10-dione IUPAC Name: 1,8-dihydroxy-4-[2-(2-hydroxyethyl)anilino]-5-nitroanthracene-9,10-dione Traditional Name: 1,8-dihydroxy-4-[2-(2-hydroxyethyl)anilino]-5-nitro-9,10-anthraquinone Formula: C22H16N2O7 MolecularWeight: 420.37164

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)CCO)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O

Isomeric SMILES

C1=CC=C(C(=C1)CCO)NC2=C3C(=C(C=C2)O)C(=O)C4=C(C=CC(=C4C3=O)[N+](=O)[O-])O

InChI

InChI=1S/C22H16N2O7/c25-10-9-11-3-1-2-4-12(11)23-13-5-7-15(26)19-17(13)21(28)18-14(24(30)31)6-8-16(27)20(18)22(19)29/h1-8,23,25-27H,9-10H2