methyl (E)-2-(nitromethyl)-3-(2-prop-1-ynylphenyl)prop-2-enoate

Systemtic Name: methyl (E)-2-(nitromethyl)-3-(2-prop-1-ynylphenyl)prop-2-enoate Openeye Name: methyl (E)-2-(nitromethyl)-3-(2-prop-1-ynylphenyl)prop-2-enoate CAS Name: (E)-2-(nitromethyl)-3-(2-prop-1-ynylphenyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-2-(nitromethyl)-3-(2-prop-1-ynylphenyl)prop-2-enoate Traditional Name: (E)-2-(nitromethyl)-3-(2-prop-1-ynylphenyl)acrylic acid methyl ester Formula: C14H13NO4 MolecularWeight: 259.25732

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CC#CC1=CC=CC=C1/C=C(\C[N+](=O)[O-])/C(=O)OC

InChI

InChI=1S/C14H13NO4/c1-3-6-11-7-4-5-8-12(11)9-13(10-15(17)18)14(16)19-2/h4-5,7-9H,10H2,1-2H3/b13-9+