(E)-2-benzamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoic acid

Systemtic Name: (E)-2-benzamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(2,4-dinitrobenzyl)oxy-3-methoxy-phenyl]acrylic acid Formula: C24H19N3O9 MolecularWeight: 493.42236

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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)OCC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H19N3O9/c1-35-22-12-15(11-19(24(29)30)25-23(28)16-5-3-2-4-6-16)7-10-21(22)36-14-17-8-9-18(26(31)32)13-20(17)27(33)34/h2-13H,14H2,1H3,(H,25,28)(H,29,30)/b19-11+