(Z)-2-[3-methyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]-3-phenyl-prop-2-enoic acid

Systemtic Name: (Z)-2-[3-methyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]-3-phenyl-prop-2-enoic acid Openeye Name: (Z)-2-[3-methyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]-3-phenyl-prop-2-enoic acid CAS Name: (Z)-2-[3-methyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]-3-phenyl-2-propenoic acid IUPAC Name: (Z)-2-[3-methyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]-3-phenylprop-2-enoic acid Traditional Name: (Z)-2-[3-methyl-5-(4-nitrophenyl)-1,2,4-triazol-4-yl]-3-phenyl-acrylic acid Formula: C18H14N4O4 MolecularWeight: 350.32816

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NN=C(N1C(=CC2=CC=CC=C2)C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=NN=C(N1/C(=C\C2=CC=CC=C2)/C(=O)O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C18H14N4O4/c1-12-19-20-17(14-7-9-15(10-8-14)22(25)26)21(12)16(18(23)24)11-13-5-3-2-4-6-13/h2-11H,1H3,(H,23,24)/b16-11-