[2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-(propan-2-ylcarbamoylamino)ethyl] 4-nitrobenzoate Openeye Name: [2-(isopropylcarbamoylamino)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-oxo-2-[[oxo-(propan-2-ylamino)methyl]amino]ethyl] ester IUPAC Name: [2-oxo-2-(propan-2-ylcarbamoylamino)ethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(isopropylcarbamoylamino)-2-keto-ethyl] ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-8(2)14-13(19)15-11(17)7-22-12(18)9-3-5-10(6-4-9)16(20)21/h3-6,8H,7H2,1-2H3,(H2,14,15,17,19)