methyl 2-methyl-4-[(E)-2-nitroprop-1-enyl]benzoate

Systemtic Name: methyl 2-methyl-4-[(E)-2-nitroprop-1-enyl]benzoate Openeye Name: methyl 2-methyl-4-[(E)-2-nitroprop-1-enyl]benzoate CAS Name: 2-methyl-4-[(E)-2-nitroprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-[(E)-2-nitroprop-1-enyl]benzoate Traditional Name: 2-methyl-4-[(E)-2-nitroprop-1-enyl]benzoic acid methyl ester Formula: C12H13NO4 MolecularWeight: 235.23592

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO4/c1-8-6-10(7-9(2)13(15)16)4-5-11(8)12(14)17-3/h4-7H,1-3H3/b9-7+