3-[8-[3-(dimethylamino)propylamino]-5-nitro-9-oxidanylidene-10H-acridin-2-yl]-2,2-dimethyl-propanoic acid

Systemtic Name: 3-[8-[3-(dimethylamino)propylamino]-5-nitro-9-oxidanylidene-10H-acridin-2-yl]-2,2-dimethyl-propanoic acid Openeye Name: 3-[8-[3-(dimethylamino)propylamino]-5-nitro-9-oxo-10H-acridin-2-yl]-2,2-dimethyl-propanoic acid CAS Name: 3-[8-[3-(dimethylamino)propylamino]-5-nitro-9-oxo-10H-acridin-2-yl]-2,2-dimethylpropanoic acid IUPAC Name: 3-[8-[3-(dimethylamino)propylamino]-5-nitro-9-oxo-10H-acridin-2-yl]-2,2-dimethylpropanoic acid Traditional Name: 3-[8-[3-(dimethylamino)propylamino]-9-keto-5-nitro-10H-acridin-2-yl]-2,2-dimethyl-propionic acid Formula: C23H28N4O5 MolecularWeight: 440.49222

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(CC1=CC2=C(C=C1)NC3=C(C=CC(=C3C2=O)NCCCN(C)C)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC(C)(CC1=CC2=C(C=C1)NC3=C(C=CC(=C3C2=O)NCCCN(C)C)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C23H28N4O5/c1-23(2,22(29)30)13-14-6-7-16-15(12-14)21(28)19-17(24-10-5-11-26(3)4)8-9-18(27(31)32)20(19)25-16/h6-9,12,24H,5,10-11,13H2,1-4H3,(H,25,28)(H,29,30)