1-[[3-(1-hydroxyethyl)phenyl]amino]-5-nitro-4,8-bis(oxidanyl)anthracene-9,10-dione

Systemtic Name: 1-[[3-(1-hydroxyethyl)phenyl]amino]-5-nitro-4,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,5-dihydroxy-4-[3-(1-hydroxyethyl)anilino]-8-nitro-anthracene-9,10-dione CAS Name: 1,5-dihydroxy-4-[3-(1-hydroxyethyl)anilino]-8-nitroanthracene-9,10-dione IUPAC Name: 1,5-dihydroxy-4-[3-(1-hydroxyethyl)anilino]-8-nitroanthracene-9,10-dione Traditional Name: 1,5-dihydroxy-4-[3-(1-hydroxyethyl)anilino]-8-nitro-9,10-anthraquinone Formula: C22H16N2O7 MolecularWeight: 420.37164

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H16N2O7/c1-10(25)11-3-2-4-12(9-11)23-13-5-7-15(26)19-17(13)21(28)20-16(27)8-6-14(24(30)31)18(20)22(19)29/h2-10,23,25-27H,1H3