[2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-(2-furyl)ethyl]amino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[[(1R)-1-(2-furanyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(furan-2-yl)ethyl]amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[[(1R)-1-(2-furyl)ethyl]amino]-2-keto-ethyl] ester Formula: C15H13BrN2O6 MolecularWeight: 397.17752

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H13BrN2O6/c1-9(13-3-2-6-23-13)17-14(19)8-24-15(20)10-4-5-11(16)12(7-10)18(21)22/h2-7,9H,8H2,1H3,(H,17,19)/t9-/m1/s1