(2-nitrophenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate

Systemtic Name: (2-nitrophenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Openeye Name: (2-nitrophenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate CAS Name: (E)-3-(1,3,5-trimethyl-4-pyrazolyl)-2-propenoic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl (E)-3-(1,3,5-trimethylpyrazol-4-yl)prop-2-enoate Traditional Name: (E)-3-(1,3,5-trimethylpyrazol-4-yl)acrylic acid (2-nitrobenzyl) ester Formula: C16H17N3O4 MolecularWeight: 315.32388

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1C)C)C=CC(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1C)C)/C=C/C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O4/c1-11-14(12(2)18(3)17-11)8-9-16(20)23-10-13-6-4-5-7-15(13)19(21)22/h4-9H,10H2,1-3H3/b9-8+