(E)-3-(3-chloranyl-5-nitro-phenyl)prop-2-enoic acid; oxiran-2-ol

Systemtic Name: (E)-3-(3-chloranyl-5-nitro-phenyl)prop-2-enoic acid; oxiran-2-ol Openeye Name: (E)-3-(3-chloro-5-nitro-phenyl)prop-2-enoic acid; oxiran-2-ol CAS Name: (E)-3-(3-chloro-5-nitrophenyl)-2-propenoic acid; 2-oxiranol IUPAC Name: (E)-3-(3-chloro-5-nitrophenyl)prop-2-enoic acid; oxiran-2-ol Traditional Name: (E)-3-(3-chloro-5-nitro-phenyl)acrylic acid; oxiran-2-ol Formula: C11H10ClNO6 MolecularWeight: 287.6532

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Descriptors Computed from Structure

Canonical SMILES:

C1C(O1)O.C1=C(C=C(C=C1[N+](=O)[O-])Cl)C=CC(=O)O

Isomeric SMILES

C1C(O1)O.C1=C(C=C(C=C1[N+](=O)[O-])Cl)/C=C/C(=O)O

InChI

InChI=1S/C9H6ClNO4.C2H4O2/c10-7-3-6(1-2-9(12)13)4-8(5-7)11(14)15;3-2-1-4-2/h1-5H,(H,12,13);2-3H,1H2/b2-1+;