(E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoate

Systemtic Name: (E)-3-(3-nitro-4-propan-2-yl-phenyl)prop-2-enoate Openeye Name: (E)-3-(4-isopropyl-3-nitro-phenyl)prop-2-enoate CAS Name: (E)-3-(3-nitro-4-propan-2-ylphenyl)-2-propenoate IUPAC Name: (E)-3-(3-nitro-4-propan-2-ylphenyl)prop-2-enoate Traditional Name: (E)-3-(4-isopropyl-3-nitro-phenyl)acrylate Formula: C12H12NO4- MolecularWeight: 234.22798

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC(C)C1=C(C=C(C=C1)/C=C/C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C12H13NO4/c1-8(2)10-5-3-9(4-6-12(14)15)7-11(10)13(16)17/h3-8H,1-2H3,(H,14,15)/p-1/b6-4+