[(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1H-indazole-3-carboxylate

Systemtic Name: [(1R)-2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] 1H-indazole-3-carboxylate Openeye Name: [(1R)-2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] 1H-indazole-3-carboxylate CAS Name: 1H-indazole-3-carboxylic acid [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [(1R)-2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] 1H-indazole-3-carboxylate Traditional Name: 1H-indazole-3-carboxylic acid [(1R)-2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C22H15BrN4O5 MolecularWeight: 495.2823

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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)OC(=O)C3=NNC4=CC=CC=C43

Isomeric SMILES

C1=CC=C(C=C1)[C@H](C(=O)NC2=C(C=C(C=C2)[N+](=O)[O-])Br)OC(=O)C3=NNC4=CC=CC=C43

InChI

InChI=1S/C22H15BrN4O5/c23-16-12-14(27(30)31)10-11-18(16)24-21(28)20(13-6-2-1-3-7-13)32-22(29)19-15-8-4-5-9-17(15)25-26-19/h1-12,20H,(H,24,28)(H,25,26)/t20-/m1/s1