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

Systemtic Name: (E)-2-acetamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoic acid Openeye Name: (E)-2-acetamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-methoxy-phenyl]prop-2-enoic acid CAS Name: (E)-2-acetamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-methoxyphenyl]-2-propenoic acid IUPAC Name: (E)-2-acetamido-3-[4-[(2,4-dinitrophenyl)methoxy]-3-methoxyphenyl]prop-2-enoic acid Traditional Name: (E)-2-acetamido-3-[4-(2,4-dinitrobenzyl)oxy-3-methoxy-phenyl]acrylic acid Formula: C19H17N3O9 MolecularWeight: 431.35298

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H17N3O9/c1-11(23)20-15(19(24)25)7-12-3-6-17(18(8-12)30-2)31-10-13-4-5-14(21(26)27)9-16(13)22(28)29/h3-9H,10H2,1-2H3,(H,20,23)(H,24,25)/b15-7+