(phenylmethyl) (2E)-3-(2-bromanyl-5-nitro-phenyl)-3-oxidanylidene-2-(1H-pyridin-2-ylidene)propanoate

Systemtic Name: (phenylmethyl) (2E)-3-(2-bromanyl-5-nitro-phenyl)-3-oxidanylidene-2-(1H-pyridin-2-ylidene)propanoate Openeye Name: benzyl (2E)-3-(2-bromo-5-nitro-phenyl)-3-oxo-2-(1H-pyridin-2-ylidene)propanoate CAS Name: (2E)-3-(2-bromo-5-nitrophenyl)-3-oxo-2-(1H-pyridin-2-ylidene)propanoic acid (phenylmethyl) ester IUPAC Name: benzyl (2E)-3-(2-bromo-5-nitrophenyl)-3-oxo-2-(1H-pyridin-2-ylidene)propanoate Traditional Name: (2E)-3-(2-bromo-5-nitro-phenyl)-3-keto-2-(1H-pyridin-2-ylidene)propionic acid benzyl ester Formula: C21H15BrN2O5 MolecularWeight: 455.2582

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)C(=C2C=CC=CN2)C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)/C(=C/2\C=CC=CN2)/C(=O)C3=C(C=CC(=C3)[N+](=O)[O-])Br

InChI

InChI=1S/C21H15BrN2O5/c22-17-10-9-15(24(27)28)12-16(17)20(25)19(18-8-4-5-11-23-18)21(26)29-13-14-6-2-1-3-7-14/h1-12,23H,13H2/b19-18+