[2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[[(1R)-1-(2-bromophenyl)ethyl]amino]-2-keto-ethyl] ester Formula: C17H15BrN2O5 MolecularWeight: 407.2154

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1Br)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@H](C1=CC=CC=C1Br)NC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C17H15BrN2O5/c1-11(14-4-2-3-5-15(14)18)19-16(21)10-25-17(22)12-6-8-13(9-7-12)20(23)24/h2-9,11H,10H2,1H3,(H,19,21)/t11-/m1/s1