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

Systemtic Name: methyl 4-nitro-2-(propan-2-ylcarbamoylamino)benzoate Openeye Name: methyl 2-(isopropylcarbamoylamino)-4-nitro-benzoate CAS Name: 4-nitro-2-[[oxo-(propan-2-ylamino)methyl]amino]benzoic acid methyl ester IUPAC Name: methyl 4-nitro-2-(propan-2-ylcarbamoylamino)benzoate Traditional Name: 2-(isopropylcarbamoylamino)-4-nitro-benzoic acid methyl ester Formula: C12H15N3O5 MolecularWeight: 281.2646

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)NC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)NC(=O)NC1=C(C=CC(=C1)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C12H15N3O5/c1-7(2)13-12(17)14-10-6-8(15(18)19)4-5-9(10)11(16)20-3/h4-7H,1-3H3,(H2,13,14,17)