methyl 2-methyl-4-(2-nitropropanoyl)benzoate

Systemtic Name: methyl 2-methyl-4-(2-nitropropanoyl)benzoate Openeye Name: methyl 2-methyl-4-(2-nitropropanoyl)benzoate CAS Name: 2-methyl-4-(2-nitro-1-oxopropyl)benzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-(2-nitropropanoyl)benzoate Traditional Name: 2-methyl-4-(2-nitropropanoyl)benzoic acid methyl ester Formula: C12H13NO5 MolecularWeight: 251.23532

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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