(E)-3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-3-[3-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-4-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-3-[3-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]-4-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-3-[3-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]-4-methoxy-phenyl]acrylic acid Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=C(C=CC(=C2)C=CC(=O)O)OC)C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=C(C=CC(=C2)/C=C/C(=O)O)OC)C)[N+](=O)[O-]

InChI

InChI=1S/C16H17N3O5/c1-10-16(19(22)23)11(2)18(17-10)9-13-8-12(5-7-15(20)21)4-6-14(13)24-3/h4-8H,9H2,1-3H3,(H,20,21)/b7-5+