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

Systemtic Name: (E)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[(4-nitro-1-pyrazolyl)methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-3-[(4-nitropyrazol-1-yl)methyl]phenyl]acrylic acid Formula: C14H13N3O5 MolecularWeight: 303.27012

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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