[2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-[2-cyanoethyl(methyl)amino]-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-[2-cyanoethyl(methyl)amino]-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[2-cyanoethyl(methyl)amino]-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-[2-cyanoethyl(methyl)amino]-2-keto-ethyl] ester Formula: C13H13N3O5 MolecularWeight: 291.25942

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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-]

Isomeric SMILES

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

InChI

InChI=1S/C13H13N3O5/c1-15(8-2-7-14)12(17)9-21-13(18)10-3-5-11(6-4-10)16(19)20/h3-6H,2,8-9H2,1H3