methyl 4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate

Systemtic Name: methyl 4-[2-(2-cyanoethylamino)-2-oxidanylidene-ethoxy]-3-nitro-benzoate Openeye Name: methyl 4-[2-(2-cyanoethylamino)-2-oxo-ethoxy]-3-nitro-benzoate CAS Name: 4-[2-(2-cyanoethylamino)-2-oxoethoxy]-3-nitrobenzoic acid methyl ester IUPAC Name: methyl 4-[2-(2-cyanoethylamino)-2-oxoethoxy]-3-nitrobenzoate Traditional Name: 4-[2-(2-cyanoethylamino)-2-keto-ethoxy]-3-nitro-benzoic acid methyl ester Formula: C13H13N3O6 MolecularWeight: 307.25882

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCCC#N)[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=C(C=C1)OCC(=O)NCCC#N)[N+](=O)[O-]

InChI

InChI=1S/C13H13N3O6/c1-21-13(18)9-3-4-11(10(7-9)16(19)20)22-8-12(17)15-6-2-5-14/h3-4,7H,2,6,8H2,1H3,(H,15,17)