methyl (E)-3-[2-(3-methoxyprop-1-ynyl)phenyl]-2-(nitromethyl)prop-2-enoate

Systemtic Name: methyl (E)-3-[2-(3-methoxyprop-1-ynyl)phenyl]-2-(nitromethyl)prop-2-enoate Openeye Name: methyl (E)-3-[2-(3-methoxyprop-1-ynyl)phenyl]-2-(nitromethyl)prop-2-enoate CAS Name: (E)-3-[2-(3-methoxyprop-1-ynyl)phenyl]-2-(nitromethyl)-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[2-(3-methoxyprop-1-ynyl)phenyl]-2-(nitromethyl)prop-2-enoate Traditional Name: (E)-3-[2-(3-methoxyprop-1-ynyl)phenyl]-2-(nitromethyl)acrylic acid methyl ester Formula: C15H15NO5 MolecularWeight: 289.2833

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H15NO5/c1-20-9-5-8-12-6-3-4-7-13(12)10-14(11-16(18)19)15(17)21-2/h3-4,6-7,10H,9,11H2,1-2H3/b14-10+