(E)-3-[4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]phenyl]prop-2-enoate

Systemtic Name: (E)-3-[4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]phenyl]prop-2-enoate Openeye Name: (E)-3-[4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-methoxy-3-[(3-nitro-1-pyrazolyl)methyl]phenyl]-2-propenoate IUPAC Name: (E)-3-[4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-methoxy-3-[(3-nitropyrazol-1-yl)methyl]phenyl]acrylate Formula: C14H12N3O5- MolecularWeight: 302.26218

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=CC(=O)[O-])CN2C=CC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C/C(=O)[O-])CN2C=CC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O5/c1-22-12-4-2-10(3-5-14(18)19)8-11(12)9-16-7-6-13(15-16)17(20)21/h2-8H,9H2,1H3,(H,18,19)/p-1/b5-3+