[2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-(2-methylpropylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-(isobutylcarbamoylamino)-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-[[(2-methylpropylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(2-methylpropylcarbamoylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-(isobutylcarbamoylamino)-2-keto-ethyl] ester Formula: C14H16ClN3O6 MolecularWeight: 357.74634

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C14H16ClN3O6/c1-8(2)6-16-14(21)17-12(19)7-24-13(20)10-5-9(15)3-4-11(10)18(22)23/h3-5,8H,6-7H2,1-2H3,(H2,16,17,19,21)