2-(3,5-dimethylphenoxy)ethyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: 2-(3,5-dimethylphenoxy)ethyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: 2-(3,5-dimethylphenoxy)ethyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester IUPAC Name: 2-(3,5-dimethylphenoxy)ethyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid 2-(3,5-dimethylphenoxy)ethyl ester Formula: C25H19NO7 MolecularWeight: 445.42086

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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