methyl (E)-3-(2-ethynylphenyl)-2-(nitromethyl)prop-2-enoate

Systemtic Name: methyl (E)-3-(2-ethynylphenyl)-2-(nitromethyl)prop-2-enoate Openeye Name: methyl (E)-3-(2-ethynylphenyl)-2-(nitromethyl)prop-2-enoate CAS Name: (E)-3-(2-ethynylphenyl)-2-(nitromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-ethynylphenyl)-2-(nitromethyl)prop-2-enoate Traditional Name: (E)-3-(2-ethynylphenyl)-2-(nitromethyl)acrylic acid methyl ester Formula: C13H11NO4 MolecularWeight: 245.23074

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C(=CC1=CC=CC=C1C#C)C[N+](=O)[O-]

Isomeric SMILES

COC(=O)/C(=C/C1=CC=CC=C1C#C)/C[N+](=O)[O-]

InChI

InChI=1S/C13H11NO4/c1-3-10-6-4-5-7-11(10)8-12(9-14(16)17)13(15)18-2/h1,4-8H,9H2,2H3/b12-8+