1-azanyl-4-[[3-(dimethylaminomethyl)phenyl]amino]anthracene-9,10-dione; ethanoic acid

Systemtic Name: 1-azanyl-4-[[3-(dimethylaminomethyl)phenyl]amino]anthracene-9,10-dione; ethanoic acid Openeye Name: acetic acid; 1-amino-4-[3-(dimethylaminomethyl)anilino]anthracene-9,10-dione CAS Name: acetic acid; 1-amino-4-[3-(dimethylaminomethyl)anilino]anthracene-9,10-dione IUPAC Name: acetic acid; 1-amino-4-[3-(dimethylaminomethyl)anilino]anthracene-9,10-dione Traditional Name: acetic acid; 1-amino-4-[3-(dimethylaminomethyl)anilino]-9,10-anthraquinone Formula: C25H25N3O4 MolecularWeight: 431.4837

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)O.CN(C)CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O

Isomeric SMILES

CC(=O)O.CN(C)CC1=CC(=CC=C1)NC2=C3C(=C(C=C2)N)C(=O)C4=CC=CC=C4C3=O

InChI

InChI=1S/C23H21N3O2.C2H4O2/c1-26(2)13-14-6-5-7-15(12-14)25-19-11-10-18(24)20-21(19)23(28)17-9-4-3-8-16(17)22(20)27;1-2(3)4/h3-12,25H,13,24H2,1-2H3;1H3,(H,3,4)