[(Z)-3-(3-methylphenyl)-2-nitro-prop-2-enyl] ethanoate

Systemtic Name: [(Z)-3-(3-methylphenyl)-2-nitro-prop-2-enyl] ethanoate Openeye Name: [(Z)-3-(m-tolyl)-2-nitro-allyl] acetate CAS Name: acetic acid [(Z)-3-(3-methylphenyl)-2-nitroprop-2-enyl] ester IUPAC Name: [(Z)-3-(3-methylphenyl)-2-nitroprop-2-enyl] acetate Traditional Name: acetic acid [(Z)-3-(m-tolyl)-2-nitro-allyl] ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC(=C1)C=C(COC(=O)C)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-9-4-3-5-11(6-9)7-12(13(15)16)8-17-10(2)14/h3-7H,8H2,1-2H3/b12-7-