[2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-(3,4-dimethylphenyl)-2-oxidanylidene-ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-(3,4-dimethylphenyl)-2-oxo-ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-(3,4-dimethylphenyl)-2-oxoethyl] ester IUPAC Name: [2-(3,4-dimethylphenyl)-2-oxoethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-(3,4-dimethylphenyl)-2-keto-ethyl] ester Formula: C25H17NO7 MolecularWeight: 443.40498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C25H17NO7/c1-13-7-8-15(11-14(13)2)20(27)12-33-25(30)19-10-9-18-21(22(19)26(31)32)24(29)17-6-4-3-5-16(17)23(18)28/h3-11H,12H2,1-2H3