[2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate

Systemtic Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxidanylidene-ethyl] 5-nitrothiophene-2-carboxylate Openeye Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxo-ethyl] 5-nitrothiophene-2-carboxylate CAS Name: 5-nitro-2-thiophenecarboxylic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-oxoethyl] 5-nitrothiophene-2-carboxylate Traditional Name: 5-nitrothiophene-2-carboxylic acid [2-[[(1R)-1-(1,3-benzodioxol-5-yl)ethyl]amino]-2-keto-ethyl] ester Formula: C16H14N2O7S MolecularWeight: 378.35656

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC2=C(C=C1)OCO2)NC(=O)COC(=O)C3=CC=C(S3)[N+](=O)[O-]

InChI

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