(E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromanyl-3-nitro-phenyl)but-3-enoic acid

Systemtic Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromanyl-3-nitro-phenyl)but-3-enoic acid Openeye Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromo-3-nitro-phenyl)but-3-enoic acid CAS Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromo-3-nitrophenyl)-3-butenoic acid IUPAC Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromo-3-nitrophenyl)but-3-enoic acid Traditional Name: (E)-3-(1,3-benzoxazol-2-yl)-4-(4-bromo-3-nitro-phenyl)but-3-enoic acid Formula: C17H11BrN2O5 MolecularWeight: 403.18364

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N=C(O2)C(=CC3=CC(=C(C=C3)Br)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)N=C(O2)/C(=C/C3=CC(=C(C=C3)Br)[N+](=O)[O-])/CC(=O)O

InChI

InChI=1S/C17H11BrN2O5/c18-12-6-5-10(8-14(12)20(23)24)7-11(9-16(21)22)17-19-13-3-1-2-4-15(13)25-17/h1-8H,9H2,(H,21,22)/b11-7+