[2-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [2-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [2-[methyl-[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]-methyl-amino]ethyl] ester Formula: C13H14ClN3O6 MolecularWeight: 343.71976

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H14ClN3O6/c1-15-11(18)6-16(2)12(19)7-23-13(20)9-5-8(17(21)22)3-4-10(9)14/h3-5H,6-7H2,1-2H3,(H,15,18)