ethyl 2-isocyano-7,7-dimethyl-6,8-bis(oxidanylidene)-1,3-dihydropyrene-2-carboxylate

Systemtic Name: ethyl 2-isocyano-7,7-dimethyl-6,8-bis(oxidanylidene)-1,3-dihydropyrene-2-carboxylate Openeye Name: ethyl 2-isocyano-7,7-dimethyl-6,8-dioxo-1,3-dihydropyrene-2-carboxylate CAS Name: 2-isocyano-7,7-dimethyl-6,8-dioxo-1,3-dihydropyrene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-isocyano-7,7-dimethyl-6,8-dioxo-1,3-dihydropyrene-2-carboxylate Traditional Name: 2-isocyano-6,8-diketo-7,7-dimethyl-1,3-dihydropyrene-2-carboxylic acid ethyl ester Formula: C22H19NO4 MolecularWeight: 361.39056

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1(CC2=C3C(=CC=C4C3=C(C=C2)C(=O)C(C4=O)(C)C)C1)[N+]#[C-]

Isomeric SMILES

CCOC(=O)C1(CC2=C3C(=CC=C4C3=C(C=C2)C(=O)C(C4=O)(C)C)C1)[N+]#[C-]

InChI

InChI=1S/C22H19NO4/c1-5-27-20(26)22(23-4)10-12-6-8-14-17-15(9-7-13(11-22)16(12)17)19(25)21(2,3)18(14)24/h6-9H,5,10-11H2,1-3H3