[(1S)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(2S)-1-methoxypropan-2-yl]azanium

Systemtic Name: [(1S)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-[(2S)-1-methoxypropan-2-yl]azanium Openeye Name: [(1S)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]-[(1S)-2-methoxy-1-methyl-ethyl]ammonium CAS Name: [(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-[(2S)-1-methoxypropan-2-yl]ammonium IUPAC Name: [(1S)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-[(2S)-1-methoxypropan-2-yl]azanium Traditional Name: [(1S)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]-[(1S)-2-methoxy-1-methyl-ethyl]ammonium Formula: C18H21BrN3O4+ MolecularWeight: 423.28104

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Descriptors Computed from Structure

Canonical SMILES:

CC(COC)[NH2+]C(C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

Isomeric SMILES

C[C@@H](COC)[NH2+][C@@H](C1=CC=CC=C1)C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br

InChI

InChI=1S/C18H20BrN3O4/c1-12(11-26-2)20-17(13-6-4-3-5-7-13)18(23)21-16-9-8-14(22(24)25)10-15(16)19/h3-10,12,17,20H,11H2,1-2H3,(H,21,23)/p+1/t12-,17-/m0/s1