2-[methyl-[(E)-5-(3-nitrophenyl)-3-phenyl-pent-2-en-4-ynyl]amino]ethanoic acid

Systemtic Name: 2-[methyl-[(E)-5-(3-nitrophenyl)-3-phenyl-pent-2-en-4-ynyl]amino]ethanoic acid Openeye Name: 2-[methyl-[(E)-5-(3-nitrophenyl)-3-phenyl-pent-2-en-4-ynyl]amino]acetic acid CAS Name: 2-[methyl-[(E)-5-(3-nitrophenyl)-3-phenylpent-2-en-4-ynyl]amino]acetic acid IUPAC Name: 2-[methyl-[(E)-5-(3-nitrophenyl)-3-phenylpent-2-en-4-ynyl]amino]acetic acid Traditional Name: 2-[methyl-[(E)-5-(3-nitrophenyl)-3-phenyl-pent-2-en-4-ynyl]amino]acetic acid Formula: C20H18N2O4 MolecularWeight: 350.36792

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Descriptors Computed from Structure

Canonical SMILES:

CN(CC=C(C#CC1=CC(=CC=C1)[N+](=O)[O-])C2=CC=CC=C2)CC(=O)O

Isomeric SMILES

CN(C/C=C(/C#CC1=CC(=CC=C1)[N+](=O)[O-])\C2=CC=CC=C2)CC(=O)O

InChI

InChI=1S/C20H18N2O4/c1-21(15-20(23)24)13-12-18(17-7-3-2-4-8-17)11-10-16-6-5-9-19(14-16)22(25)26/h2-9,12,14H,13,15H2,1H3,(H,23,24)/b18-12-