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

Systemtic Name: 1-[[3-(hydroxymethyl)phenyl]amino]-5-nitro-4,8-bis(oxidanyl)anthracene-9,10-dione Openeye Name: 1,5-dihydroxy-4-[3-(hydroxymethyl)anilino]-8-nitro-anthracene-9,10-dione CAS Name: 1,5-dihydroxy-4-[3-(hydroxymethyl)anilino]-8-nitroanthracene-9,10-dione IUPAC Name: 1,5-dihydroxy-4-[3-(hydroxymethyl)anilino]-8-nitroanthracene-9,10-dione Traditional Name: 1,5-dihydroxy-4-(3-methylolanilino)-8-nitro-9,10-anthraquinone Formula: C21H14N2O7 MolecularWeight: 406.34506

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H14N2O7/c24-9-10-2-1-3-11(8-10)22-12-4-6-14(25)18-16(12)20(27)19-15(26)7-5-13(23(29)30)17(19)21(18)28/h1-8,22,24-26H,9H2