[2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-(thiophen-2-ylmethylamino)ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-oxo-2-(2-thienylmethylamino)ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(thiophen-2-ylmethylamino)ethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-keto-2-(2-thenylamino)ethyl] ester Formula: C22H14N2O7S MolecularWeight: 450.42076

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC(=O)NCC4=CC=CS4)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC(=O)NCC4=CC=CS4)[N+](=O)[O-]

InChI

InChI=1S/C22H14N2O7S/c25-17(23-10-12-4-3-9-32-12)11-31-22(28)16-8-7-15-18(19(16)24(29)30)21(27)14-6-2-1-5-13(14)20(15)26/h1-9H,10-11H2,(H,23,25)