[2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate

Systemtic Name: [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Openeye Name: [2-[[(1S)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl] 6-nitro-1,3-benzodioxole-5-carboxylate CAS Name: 6-nitro-1,3-benzodioxole-5-carboxylic acid [2-[[(1S)-1-(2-furanyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1S)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 6-nitro-1,3-benzodioxole-5-carboxylate Traditional Name: 6-nitro-piperonylic acid [2-[[(1S)-1-(2-furyl)ethyl]amino]-2-keto-ethyl] ester Formula: C16H14N2O8 MolecularWeight: 362.29096

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CO1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

Isomeric SMILES

C[C@@H](C1=CC=CO1)NC(=O)COC(=O)C2=CC3=C(C=C2[N+](=O)[O-])OCO3

InChI

InChI=1S/C16H14N2O8/c1-9(12-3-2-4-23-12)17-15(19)7-24-16(20)10-5-13-14(26-8-25-13)6-11(10)18(21)22/h2-6,9H,7-8H2,1H3,(H,17,19)/t9-/m0/s1