[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4,5-dimethoxy-2-nitro-benzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4,5-dimethoxy-2-nitro-benzoate CAS Name: 4,5-dimethoxy-2-nitrobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4,5-dimethoxy-2-nitrobenzoate Traditional Name: 4,5-dimethoxy-2-nitro-benzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C15H17N3O7 MolecularWeight: 351.31138

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Descriptors Computed from Structure

Canonical SMILES:

CN(CCC#N)C(=O)COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC

Isomeric SMILES

CN(CCC#N)C(=O)COC(=O)C1=CC(=C(C=C1[N+](=O)[O-])OC)OC

InChI

InChI=1S/C15H17N3O7/c1-17(6-4-5-16)14(19)9-25-15(20)10-7-12(23-2)13(24-3)8-11(10)18(21)22/h7-8H,4,6,9H2,1-3H3