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

Systemtic Name: [2-oxidanylidene-2-(1-thiophen-2-ylethylamino)ethyl] 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [2-oxo-2-[1-(2-thienyl)ethylamino]ethyl] 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1-thiophen-2-ylethylamino)ethyl] 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [2-keto-2-[1-(2-thienyl)ethylamino]ethyl] ester Formula: C23H16N2O7S MolecularWeight: 464.44734

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CS1)NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CS1)NC(=O)COC(=O)C2=C(C3=C(C=C2)C(=O)C4=CC=CC=C4C3=O)[N+](=O)[O-]

InChI

InChI=1S/C23H16N2O7S/c1-12(17-7-4-10-33-17)24-18(26)11-32-23(29)16-9-8-15-19(20(16)25(30)31)22(28)14-6-3-2-5-13(14)21(15)27/h2-10,12H,11H2,1H3,(H,24,26)