(phenylmethyl) (E)-3-[(3-nitropyridin-2-yl)diazenyl]but-2-enoate

Systemtic Name: (phenylmethyl) (E)-3-[(3-nitropyridin-2-yl)diazenyl]but-2-enoate Openeye Name: benzyl (E)-3-[(3-nitro-2-pyridyl)azo]but-2-enoate CAS Name: (E)-3-[(3-nitro-2-pyridinyl)azo]-2-butenoic acid (phenylmethyl) ester IUPAC Name: benzyl (E)-3-[(3-nitropyridin-2-yl)diazenyl]but-2-enoate Traditional Name: (E)-3-[(3-nitro-2-pyridyl)azo]but-2-enoic acid benzyl ester Formula: C16H14N4O4 MolecularWeight: 326.30676

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)OCC1=CC=CC=C1)N=NC2=C(C=CC=N2)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C(=O)OCC1=CC=CC=C1)/N=NC2=C(C=CC=N2)[N+](=O)[O-]

InChI

InChI=1S/C16H14N4O4/c1-12(10-15(21)24-11-13-6-3-2-4-7-13)18-19-16-14(20(22)23)8-5-9-17-16/h2-10H,11H2,1H3/b12-10+,19-18?