methyl (E)-2-cyano-3-[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]prop-2-enoate

Systemtic Name: methyl (E)-2-cyano-3-[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]prop-2-enoate Openeye Name: methyl (E)-2-cyano-3-[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]prop-2-enoate CAS Name: (E)-2-cyano-3-[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-cyano-3-[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]prop-2-enoate Traditional Name: (E)-2-cyano-3-[4-methoxy-3-[(3-nitro-1,2,4-triazol-1-yl)methyl]phenyl]acrylic acid methyl ester Formula: C15H13N5O5 MolecularWeight: 343.29422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C=C(C#N)C(=O)OC)CN2C=NC(=N2)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C=C(C=C1)/C=C(\C#N)/C(=O)OC)CN2C=NC(=N2)[N+](=O)[O-]

InChI

InChI=1S/C15H13N5O5/c1-24-13-4-3-10(5-11(7-16)14(21)25-2)6-12(13)8-19-9-17-15(18-19)20(22)23/h3-6,9H,8H2,1-2H3/b11-5+