(4-pyrazol-1-ylphenyl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(5-nitro-2-furyl)prop-2-enoate CAS Name: (E)-3-(5-nitro-2-furanyl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(5-nitrofuran-2-yl)prop-2-enoate Traditional Name: (E)-3-(5-nitro-2-furyl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C17H13N3O5 MolecularWeight: 339.30222

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Descriptors Computed from Structure

Canonical SMILES:

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)C=CC3=CC=C(O3)[N+](=O)[O-]

Isomeric SMILES

C1=CN(N=C1)C2=CC=C(C=C2)COC(=O)/C=C/C3=CC=C(O3)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O5/c21-17(9-7-15-6-8-16(25-15)20(22)23)24-12-13-2-4-14(5-3-13)19-11-1-10-18-19/h1-11H,12H2/b9-7+