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

Systemtic Name: ethyl 2-azanyl-7,7-dimethyl-6,8-bis(oxidanylidene)-1,3-dihydropyrene-2-carboxylate Openeye Name: ethyl 2-amino-7,7-dimethyl-6,8-dioxo-1,3-dihydropyrene-2-carboxylate CAS Name: 2-amino-7,7-dimethyl-6,8-dioxo-1,3-dihydropyrene-2-carboxylic acid ethyl ester IUPAC Name: ethyl 2-amino-7,7-dimethyl-6,8-dioxo-1,3-dihydropyrene-2-carboxylate Traditional Name: 2-amino-6,8-diketo-7,7-dimethyl-1,3-dihydropyrene-2-carboxylic acid ethyl ester Formula: C21H21NO4 MolecularWeight: 351.39574

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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

Isomeric SMILES

CCOC(=O)C1(CC2=C3C(=CC=C4C3=C(C=C2)C(=O)C(C4=O)(C)C)C1)N

InChI

InChI=1S/C21H21NO4/c1-4-26-19(25)21(22)9-11-5-7-13-16-14(8-6-12(10-21)15(11)16)18(24)20(2,3)17(13)23/h5-8H,4,9-10,22H2,1-3H3