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

Systemtic Name: (E)-2-benzamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-benzamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-ethoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-benzamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-ethoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-benzamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-ethoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-benzamido-3-[4-(2,4-dinitrobenzyl)oxy-3-ethoxy-phenyl]acrylic acid Formula: C25H21N3O9 MolecularWeight: 507.44894

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

Isomeric SMILES

CCOC1=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/C25H21N3O9/c1-2-36-23-13-16(12-20(25(30)31)26-24(29)17-6-4-3-5-7-17)8-11-22(23)37-15-18-9-10-19(27(32)33)14-21(18)28(34)35/h3-14H,2,15H2,1H3,(H,26,29)(H,30,31)/b20-12+