cyanomethyl 4-(2-methoxyethylamino)-3-nitro-benzoate

Systemtic Name: cyanomethyl 4-(2-methoxyethylamino)-3-nitro-benzoate Openeye Name: cyanomethyl 4-(2-methoxyethylamino)-3-nitro-benzoate CAS Name: 4-(2-methoxyethylamino)-3-nitrobenzoic acid cyanomethyl ester IUPAC Name: cyanomethyl 4-(2-methoxyethylamino)-3-nitrobenzoate Traditional Name: 4-(2-methoxyethylamino)-3-nitro-benzoic acid cyanomethyl ester Formula: C12H13N3O5 MolecularWeight: 279.24872

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)C(=O)OCC#N)[N+](=O)[O-]

Isomeric SMILES

COCCNC1=C(C=C(C=C1)C(=O)OCC#N)[N+](=O)[O-]

InChI

InChI=1S/C12H13N3O5/c1-19-7-5-14-10-3-2-9(8-11(10)15(17)18)12(16)20-6-4-13/h2-3,8,14H,5-7H2,1H3