(E)-2-benzamido-3-[3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[3-bromanyl-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[3-bromo-5-methoxy-4-[(3-nitrophenyl)methoxy]phenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[3-bromo-5-methoxy-4-(3-nitrobenzyl)oxy-phenyl]acrylic acid Formula: C24H19BrN2O7 MolecularWeight: 527.32086

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C(=CC(=C1)C=C(C(=O)O)NC(=O)C2=CC=CC=C2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=C(C(=CC(=C1)/C=C(\C(=O)O)/NC(=O)C2=CC=CC=C2)Br)OCC3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C24H19BrN2O7/c1-33-21-13-16(12-20(24(29)30)26-23(28)17-7-3-2-4-8-17)11-19(25)22(21)34-14-15-6-5-9-18(10-15)27(31)32/h2-13H,14H2,1H3,(H,26,28)(H,29,30)/b20-12+