[(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate

Systemtic Name: [(2R)-1-(4-bromophenyl)-1-oxidanylidene-propan-2-yl] 2-azanyl-5-nitro-benzoate Openeye Name: [(1R)-2-(4-bromophenyl)-1-methyl-2-oxo-ethyl] 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(4-bromophenyl)-1-oxopropan-2-yl] 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid [(1R)-2-(4-bromophenyl)-2-keto-1-methyl-ethyl] ester Formula: C16H13BrN2O5 MolecularWeight: 393.18882

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)C1=CC=C(C=C1)Br)OC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N

Isomeric SMILES

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

InChI

InChI=1S/C16H13BrN2O5/c1-9(15(20)10-2-4-11(17)5-3-10)24-16(21)13-8-12(19(22)23)6-7-14(13)18/h2-9H,18H2,1H3/t9-/m1/s1