(5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate

Systemtic Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-nitro-9,10-bis(oxidanylidene)anthracene-2-carboxylate Openeye Name: [5-(2-thienyl)isoxazol-3-yl]methyl 1-nitro-9,10-dioxo-anthracene-2-carboxylate CAS Name: 1-nitro-9,10-dioxo-2-anthracenecarboxylic acid (5-thiophen-2-yl-3-isoxazolyl)methyl ester IUPAC Name: (5-thiophen-2-yl-1,2-oxazol-3-yl)methyl 1-nitro-9,10-dioxoanthracene-2-carboxylate Traditional Name: 9,10-diketo-1-nitro-anthracene-2-carboxylic acid [5-(2-thienyl)isoxazol-3-yl]methyl ester Formula: C23H12N2O7S MolecularWeight: 460.41558

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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)OCC4=NOC(=C4)C5=CC=CS5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C(=O)C3=C(C2=O)C(=C(C=C3)C(=O)OCC4=NOC(=C4)C5=CC=CS5)[N+](=O)[O-]

InChI

InChI=1S/C23H12N2O7S/c26-21-13-4-1-2-5-14(13)22(27)19-15(21)7-8-16(20(19)25(29)30)23(28)31-11-12-10-17(32-24-12)18-6-3-9-33-18/h1-10H,11H2