[1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate

Systemtic Name: [1-(ethylcarbamoylamino)-1-oxidanylidene-propan-2-yl] 2-nitrobenzoate Openeye Name: [2-(ethylcarbamoylamino)-1-methyl-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] ester IUPAC Name: [1-(ethylcarbamoylamino)-1-oxopropan-2-yl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-(ethylcarbamoylamino)-2-keto-1-methyl-ethyl] ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-3-14-13(19)15-11(17)8(2)22-12(18)9-6-4-5-7-10(9)16(20)21/h4-8H,3H2,1-2H3,(H2,14,15,17,19)