2-(2,6-dimethylphenoxy)ethyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 2-(2,6-dimethylphenoxy)ethyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 2-(2,6-dimethylphenoxy)ethyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester IUPAC Name: 2-(2,6-dimethylphenoxy)ethyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid 2-(2,6-dimethylphenoxy)ethyl ester Formula: C25H19NO7 MolecularWeight: 445.42086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H19NO7/c1-14-6-5-7-15(2)24(14)32-12-13-33-25(29)19-11-10-18-20(21(19)26(30)31)23(28)17-9-4-3-8-16(17)22(18)27/h3-11H,12-13H2,1-2H3