[2-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate

Systemtic Name: [2-[methyl-[2-(methylamino)-2-oxidanylidene-ethyl]amino]-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-[methyl-[2-(methylamino)-2-oxo-ethyl]amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[2-(methylamino)-2-oxoethyl]amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-keto-2-[[2-keto-2-(methylamino)ethyl]-methyl-amino]ethyl] ester Formula: C13H15N3O6 MolecularWeight: 309.2747

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H15N3O6/c1-14-11(17)7-15(2)12(18)8-22-13(19)9-4-3-5-10(6-9)16(20)21/h3-6H,7-8H2,1-2H3,(H,14,17)