2-[4-[bis(1-hydroxyethyl)amino]-2-methyl-phenoxy]-4-nitro-1-oxidanyl-anthracene-9,10-dione

Systemtic Name: 2-[4-[bis(1-hydroxyethyl)amino]-2-methyl-phenoxy]-4-nitro-1-oxidanyl-anthracene-9,10-dione Openeye Name: 2-[4-[bis(1-hydroxyethyl)amino]-2-methyl-phenoxy]-1-hydroxy-4-nitro-anthracene-9,10-dione CAS Name: 2-[4-[bis(1-hydroxyethyl)amino]-2-methylphenoxy]-1-hydroxy-4-nitroanthracene-9,10-dione IUPAC Name: 2-[4-[bis(1-hydroxyethyl)amino]-2-methylphenoxy]-1-hydroxy-4-nitroanthracene-9,10-dione Traditional Name: 2-[4-[bis(1-hydroxyethyl)amino]-2-methyl-phenoxy]-1-hydroxy-4-nitro-9,10-anthraquinone Formula: C25H22N2O8 MolecularWeight: 478.45078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)N(C(C)O)C(C)O)OC2=C(C3=C(C(=C2)[N+](=O)[O-])C(=O)C4=CC=CC=C4C3=O)O

Isomeric SMILES

CC1=C(C=CC(=C1)N(C(C)O)C(C)O)OC2=C(C3=C(C(=C2)[N+](=O)[O-])C(=O)C4=CC=CC=C4C3=O)O

InChI

InChI=1S/C25H22N2O8/c1-12-10-15(26(13(2)28)14(3)29)8-9-19(12)35-20-11-18(27(33)34)21-22(25(20)32)24(31)17-7-5-4-6-16(17)23(21)30/h4-11,13-14,28-29,32H,1-3H3