(3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: (3,5-dimethylisoxazol-4-yl)methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (3,5-dimethyl-4-isoxazolyl)methyl ester IUPAC Name: (3,5-dimethyl-1,2-oxazol-4-yl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid (3,5-dimethylisoxazol-4-yl)methyl ester Formula: C21H14N2O7 MolecularWeight: 406.34506

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C21H14N2O7/c1-10-16(11(2)30-22-10)9-29-21(26)15-8-7-14-17(18(15)23(27)28)20(25)13-6-4-3-5-12(13)19(14)24/h3-8H,9H2,1-2H3