methyl 3-methoxy-4-[(E)-2-nitroprop-1-enyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[(E)-2-nitroprop-1-enyl]benzoate Openeye Name: methyl 3-methoxy-4-[(E)-2-nitroprop-1-enyl]benzoate CAS Name: 3-methoxy-4-[(E)-2-nitroprop-1-enyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[(E)-2-nitroprop-1-enyl]benzoate Traditional Name: 3-methoxy-4-[(E)-2-nitroprop-1-enyl]benzoic acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13NO5/c1-8(13(15)16)6-9-4-5-10(12(14)18-3)7-11(9)17-2/h4-7H,1-3H3/b8-6+