(4-pyrazol-1-ylphenyl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate

Systemtic Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(4-chloranyl-3-nitro-phenyl)prop-2-enoate Openeye Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(4-chloro-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(4-chloro-3-nitrophenyl)-2-propenoic acid [4-(1-pyrazolyl)phenyl]methyl ester IUPAC Name: (4-pyrazol-1-ylphenyl)methyl (E)-3-(4-chloro-3-nitrophenyl)prop-2-enoate Traditional Name: (E)-3-(4-chloro-3-nitro-phenyl)acrylic acid (4-pyrazol-1-ylbenzyl) ester Formula: C19H14ClN3O4 MolecularWeight: 383.78516

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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(C=C3)Cl)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C19H14ClN3O4/c20-17-8-4-14(12-18(17)23(25)26)5-9-19(24)27-13-15-2-6-16(7-3-15)22-11-1-10-21-22/h1-12H,13H2/b9-5+