[2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate

Systemtic Name: [2-(3-methylbutylcarbamoylamino)-2-oxidanylidene-ethyl] 5-chloranyl-2-nitro-benzoate Openeye Name: [2-(isopentylcarbamoylamino)-2-oxo-ethyl] 5-chloro-2-nitro-benzoate CAS Name: 5-chloro-2-nitrobenzoic acid [2-[[(3-methylbutylamino)-oxomethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-(3-methylbutylcarbamoylamino)-2-oxoethyl] 5-chloro-2-nitrobenzoate Traditional Name: 5-chloro-2-nitro-benzoic acid [2-(isoamylcarbamoylamino)-2-keto-ethyl] ester Formula: C15H18ClN3O6 MolecularWeight: 371.77292

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H18ClN3O6/c1-9(2)5-6-17-15(22)18-13(20)8-25-14(21)11-7-10(16)3-4-12(11)19(23)24/h3-4,7,9H,5-6,8H2,1-2H3,(H2,17,18,20,22)