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

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl]-(2-methoxyethyl)azanium Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl]-(2-methoxyethyl)ammonium CAS Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)ammonium IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl]-(2-methoxyethyl)azanium Traditional Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl]-(2-methoxyethyl)ammonium Formula: C17H19BrN3O4+ MolecularWeight: 409.25446

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H18BrN3O4/c1-25-10-9-19-16(12-5-3-2-4-6-12)17(22)20-15-8-7-13(21(23)24)11-14(15)18/h2-8,11,16,19H,9-10H2,1H3,(H,20,22)/p+1/t16-/m1/s1