(3-nitrophenyl)methyl (E)-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate

Systemtic Name: (3-nitrophenyl)methyl (E)-3-[3-(2-oxidanylidenechromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate Openeye Name: (3-nitrophenyl)methyl (E)-3-[3-(2-oxochromen-3-yl)-1-phenyl-pyrazol-4-yl]prop-2-enoate CAS Name: (E)-3-[3-(2-oxo-1-benzopyran-3-yl)-1-phenyl-4-pyrazolyl]-2-propenoic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl (E)-3-[3-(2-oxochromen-3-yl)-1-phenylpyrazol-4-yl]prop-2-enoate Traditional Name: (E)-3-[3-(2-ketochromen-3-yl)-1-phenyl-pyrazol-4-yl]acrylic acid (3-nitrobenzyl) ester Formula: C28H19N3O6 MolecularWeight: 493.46696

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)C=CC(=O)OCC5=CC(=CC=C5)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N2C=C(C(=N2)C3=CC4=CC=CC=C4OC3=O)/C=C/C(=O)OCC5=CC(=CC=C5)[N+](=O)[O-]

InChI

InChI=1S/C28H19N3O6/c32-26(36-18-19-7-6-11-23(15-19)31(34)35)14-13-21-17-30(22-9-2-1-3-10-22)29-27(21)24-16-20-8-4-5-12-25(20)37-28(24)33/h1-17H,18H2/b14-13+