[(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxidanylidene-propan-2-yl] 5-nitrothiophene-2-carboxylate Openeye Name: [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-methyl-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-1-oxopropan-2-yl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [(1R)-2-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-2-keto-1-methyl-ethyl] ester Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C(=O)NC1=CC2=C(C=C1)OCCO2)OC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

InChI=1S/C16H14N2O7S/c1-9(25-16(20)13-4-5-14(26-13)18(21)22)15(19)17-10-2-3-11-12(8-10)24-7-6-23-11/h2-5,8-9H,6-7H2,1H3,(H,17,19)/t9-/m1/s1