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

Systemtic Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxidanylidene-ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxo-ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-cyclopropylethyl]amino]-2-oxoethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-[[(1R)-1-cyclopropylethyl]amino]-2-keto-ethyl] ester Formula: C14H15BrN2O5 MolecularWeight: 371.1833

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C1CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1CC1)NC(=O)COC(=O)C2=CC(=C(C=C2)Br)[N+](=O)[O-]

InChI

InChI=1S/C14H15BrN2O5/c1-8(9-2-3-9)16-13(18)7-22-14(19)10-4-5-11(15)12(6-10)17(20)21/h4-6,8-9H,2-3,7H2,1H3,(H,16,18)/t8-/m1/s1