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

Systemtic Name: methyl (E)-3-(2-hex-1-ynylphenyl)-2-(nitromethyl)prop-2-enoate Openeye Name: methyl (E)-3-(2-hex-1-ynylphenyl)-2-(nitromethyl)prop-2-enoate CAS Name: (E)-3-(2-hex-1-ynylphenyl)-2-(nitromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-(2-hex-1-ynylphenyl)-2-(nitromethyl)prop-2-enoate Traditional Name: (E)-3-(2-hex-1-ynylphenyl)-2-(nitromethyl)acrylic acid methyl ester Formula: C17H19NO4 MolecularWeight: 301.33706

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H19NO4/c1-3-4-5-6-9-14-10-7-8-11-15(14)12-16(13-18(20)21)17(19)22-2/h7-8,10-12H,3-5,13H2,1-2H3/b16-12+