(E)-2-benzamido-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-ethoxy-4-[(4-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-ethoxy-4-(4-nitrobenzyl)oxy-phenyl]acrylic acid Formula: C25H22N2O7 MolecularWeight: 462.45138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)OCC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C25H22N2O7/c1-2-33-23-15-18(14-21(25(29)30)26-24(28)19-6-4-3-5-7-19)10-13-22(23)34-16-17-8-11-20(12-9-17)27(31)32/h3-15H,2,16H2,1H3,(H,26,28)(H,29,30)/b21-14+