methyl 2-methyl-4-nitro-6-(propan-2-ylcarbamoylamino)benzoate

Systemtic Name: methyl 2-methyl-4-nitro-6-(propan-2-ylcarbamoylamino)benzoate Openeye Name: methyl 2-(isopropylcarbamoylamino)-6-methyl-4-nitro-benzoate CAS Name: 2-methyl-4-nitro-6-[[oxo-(propan-2-ylamino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-methyl-4-nitro-6-(propan-2-ylcarbamoylamino)benzoate Traditional Name: 2-(isopropylcarbamoylamino)-6-methyl-4-nitro-benzoic acid methyl ester Formula: C13H17N3O5 MolecularWeight: 295.29118

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1C(=O)OC)NC(=O)NC(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1C(=O)OC)NC(=O)NC(C)C)[N+](=O)[O-]

InChI

InChI=1S/C13H17N3O5/c1-7(2)14-13(18)15-10-6-9(16(19)20)5-8(3)11(10)12(17)21-4/h5-7H,1-4H3,(H2,14,15,18)