[(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(pyridin-3-ylmethyl)azanium

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(pyridin-3-ylmethyl)azanium Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]-(3-pyridylmethyl)ammonium CAS Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-(3-pyridinylmethyl)ammonium IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-(pyridin-3-ylmethyl)azanium Traditional Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]-(3-pyridylmethyl)ammonium Formula: C20H18BrN4O3+ MolecularWeight: 442.28592

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)[NH2+]CC3=CN=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)[NH2+]CC3=CN=CC=C3

InChI

InChI=1S/C20H17BrN4O3/c21-17-11-16(25(27)28)8-9-18(17)24-20(26)19(15-6-2-1-3-7-15)23-13-14-5-4-10-22-12-14/h1-12,19,23H,13H2,(H,24,26)/p+1/t19-/m1/s1