[2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-ethyl]-(diphenylmethyl)-methyl-azanium Openeye Name: benzhydryl-[2-(2-bromo-4-nitro-anilino)-2-oxo-ethyl]-methyl-ammonium CAS Name: [2-(2-bromo-4-nitroanilino)-2-oxoethyl]-(diphenylmethyl)-methylammonium IUPAC Name: benzhydryl-[2-(2-bromo-4-nitroanilino)-2-oxoethyl]-methylazanium Traditional Name: benzhydryl-[2-(2-bromo-4-nitro-anilino)-2-keto-ethyl]-methyl-ammonium Formula: C22H21BrN3O3+ MolecularWeight: 455.32444

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Descriptors Computed from Structure

Canonical SMILES:

C[NH+](CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)C(C2=CC=CC=C2)C3=CC=CC=C3

Isomeric SMILES

C[NH+](CC(=O)NC1=C(C=C(C=C1)[N+](=O)[O-])Br)C(C2=CC=CC=C2)C3=CC=CC=C3

InChI

InChI=1S/C22H20BrN3O3/c1-25(15-21(27)24-20-13-12-18(26(28)29)14-19(20)23)22(16-8-4-2-5-9-16)17-10-6-3-7-11-17/h2-14,22H,15H2,1H3,(H,24,27)/p+1