(E)-3-[4-methoxy-3-[(4-methyl-2-nitro-phenoxy)methyl]phenyl]prop-2-enoic acid

Systemtic Name: (E)-3-[4-methoxy-3-[(4-methyl-2-nitro-phenoxy)methyl]phenyl]prop-2-enoic acid Openeye Name: (E)-3-[4-methoxy-3-[(4-methyl-2-nitro-phenoxy)methyl]phenyl]prop-2-enoic acid CAS Name: (E)-3-[4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl]-2-propenoic acid IUPAC Name: (E)-3-[4-methoxy-3-[(4-methyl-2-nitrophenoxy)methyl]phenyl]prop-2-enoic acid Traditional Name: (E)-3-[4-methoxy-3-[(4-methyl-2-nitro-phenoxy)methyl]phenyl]acrylic acid Formula: C18H17NO6 MolecularWeight: 343.33068

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)C=CC(=O)O)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)OCC2=C(C=CC(=C2)/C=C/C(=O)O)OC)[N+](=O)[O-]

InChI

InChI=1S/C18H17NO6/c1-12-3-6-17(15(9-12)19(22)23)25-11-14-10-13(5-8-18(20)21)4-7-16(14)24-2/h3-10H,11H2,1-2H3,(H,20,21)/b8-5+