methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate

Systemtic Name: methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate Openeye Name: methyl 3-(isopropylcarbamoyl)-5-nitro-benzoate CAS Name: 3-nitro-5-[oxo-(propan-2-ylamino)methyl]benzoic acid methyl ester IUPAC Name: methyl 3-nitro-5-(propan-2-ylcarbamoyl)benzoate Traditional Name: 3-(isopropylcarbamoyl)-5-nitro-benzoic acid methyl ester Formula: C12H14N2O5 MolecularWeight: 266.24996

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14N2O5/c1-7(2)13-11(15)8-4-9(12(16)19-3)6-10(5-8)14(17)18/h4-7H,1-3H3,(H,13,15)