[2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate

Systemtic Name: [2-[[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 2-nitrobenzoate Openeye Name: [2-[[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 2-nitrobenzoate CAS Name: 2-nitrobenzoic acid [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 2-nitrobenzoate Traditional Name: 2-nitrobenzoic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]amino]ethyl] ester Formula: C12H13N3O6 MolecularWeight: 295.24812

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H13N3O6/c1-13-10(16)6-14-11(17)7-21-12(18)8-4-2-3-5-9(8)15(19)20/h2-5H,6-7H2,1H3,(H,13,16)(H,14,17)