[2-oxidanylidene-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-oxidanylidene-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester IUPAC Name: [2-oxo-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-keto-2-[(3R)-3-phenyl-2,3-dihydro-1,4-benzoxazin-4-yl]ethyl] ester Formula: C21H16N2O6S MolecularWeight: 424.42654

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Descriptors Computed from Structure

Canonical SMILES:

C1C(N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

C1[C@H](N(C2=CC=CC=C2O1)C(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C21H16N2O6S/c24-19(13-29-21(25)18-10-11-20(30-18)23(26)27)22-15-8-4-5-9-17(15)28-12-16(22)14-6-2-1-3-7-14/h1-11,16H,12-13H2/t16-/m0/s1