(E)-3-(1,3-benzoxazol-2-yl)-4-(2-nitrophenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-nitrophenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-nitrophenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-nitrophenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-nitrophenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(2-nitrophenyl)but-3-enoic acid Formula: C17H12N2O5 MolecularWeight: 324.28758

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C=C(CC(=O)O)C2=NC3=CC=CC=C3O2)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)/C=C(\CC(=O)O)/C2=NC3=CC=CC=C3O2)[N+](=O)[O-]

InChI

InChI=1S/C17H12N2O5/c20-16(21)10-12(9-11-5-1-3-7-14(11)19(22)23)17-18-13-6-2-4-8-15(13)24-17/h1-9H,10H2,(H,20,21)/b12-9+