cyclohexylmethyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: cyclohexylmethyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: cyclohexylmethyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid cyclohexylmethyl ester IUPAC Name: cyclohexylmethyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid cyclohexylmethyl ester Formula: C22H19NO6 MolecularWeight: 393.38936

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Descriptors Computed from Structure

Canonical SMILES:

C1CCC(CC1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

C1CCC(CC1)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C22H19NO6/c24-20-14-8-4-5-9-15(14)21(25)18-16(20)10-11-17(19(18)23(27)28)22(26)29-12-13-6-2-1-3-7-13/h4-5,8-11,13H,1-3,6-7,12H2