ethyl 4-cyano-5-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-methyl-thiophene-2-carboxylate

Systemtic Name: ethyl 4-cyano-5-[5,8-dinitro-1,3-bis(oxidanylidene)benzo[de]isoquinolin-2-yl]-3-methyl-thiophene-2-carboxylate Openeye Name: ethyl 4-cyano-5-(5,8-dinitro-1,3-dioxo-benzo[de]isoquinolin-2-yl)-3-methyl-thiophene-2-carboxylate CAS Name: 4-cyano-5-(5,8-dinitro-1,3-dioxo-2-benzo[de]isoquinolinyl)-3-methyl-2-thiophenecarboxylic acid ethyl ester IUPAC Name: ethyl 4-cyano-5-(5,8-dinitro-1,3-dioxobenzo[de]isoquinolin-2-yl)-3-methylthiophene-2-carboxylate Traditional Name: 4-cyano-5-(1,3-diketo-5,8-dinitro-benzo[de]isoquinolin-2-yl)-3-methyl-thiophene-2-carboxylic acid ethyl ester Formula: C21H12N4O8S MolecularWeight: 480.40698

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=C(S1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-])C#N)C

Isomeric SMILES

CCOC(=O)C1=C(C(=C(S1)N2C(=O)C3=CC(=CC4=CC(=CC(=C43)C2=O)[N+](=O)[O-])[N+](=O)[O-])C#N)C

InChI

InChI=1S/C21H12N4O8S/c1-3-33-21(28)17-9(2)15(8-22)20(34-17)23-18(26)13-6-11(24(29)30)4-10-5-12(25(31)32)7-14(16(10)13)19(23)27/h4-7H,3H2,1-2H3