methyl (E)-3-[4-[(E)-2-nitroprop-1-enyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-3-[4-[(E)-2-nitroprop-1-enyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-3-[4-[(E)-2-nitroprop-1-enyl]phenyl]prop-2-enoate CAS Name: (E)-3-[4-[(E)-2-nitroprop-1-enyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[4-[(E)-2-nitroprop-1-enyl]phenyl]prop-2-enoate Traditional Name: (E)-3-[4-[(E)-2-nitroprop-1-enyl]phenyl]acrylic acid methyl ester Formula: C13H13NO4 MolecularWeight: 247.24662

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC1=CC=C(C=C1)C=CC(=O)OC)[N+](=O)[O-]

Isomeric SMILES

C/C(=C\C1=CC=C(C=C1)/C=C/C(=O)OC)/[N+](=O)[O-]

InChI

InChI=1S/C13H13NO4/c1-10(14(16)17)9-12-5-3-11(4-6-12)7-8-13(15)18-2/h3-9H,1-2H3/b8-7+,10-9+