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

Systemtic Name: [2-[(2-bromanyl-4-nitro-phenyl)amino]-2-oxidanylidene-1-phenyl-ethyl] pyridine-3-carboxylate Openeye Name: [2-(2-bromo-4-nitro-anilino)-2-oxo-1-phenyl-ethyl] pyridine-3-carboxylate CAS Name: 3-pyridinecarboxylic acid [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] ester IUPAC Name: [2-(2-bromo-4-nitroanilino)-2-oxo-1-phenylethyl] pyridine-3-carboxylate Traditional Name: nicotinic acid [2-(2-bromo-4-nitro-anilino)-2-keto-1-phenyl-ethyl] ester Formula: C20H14BrN3O5 MolecularWeight: 456.24626

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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=CN=CC=C3

Isomeric SMILES

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

InChI

InChI=1S/C20H14BrN3O5/c21-16-11-15(24(27)28)8-9-17(16)23-19(25)18(13-5-2-1-3-6-13)29-20(26)14-7-4-10-22-12-14/h1-12,18H,(H,23,25)