(3-cyanophenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: (3-cyanophenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: (3-cyanophenyl)methyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid (3-cyanophenyl)methyl ester IUPAC Name: (3-cyanophenyl)methyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid (3-cyanobenzyl) ester Formula: C18H17N3O5 MolecularWeight: 355.34468

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC(=C2)C#N

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC(=C2)C#N

InChI

InChI=1S/C18H17N3O5/c1-25-8-7-20-17-6-5-15(21(23)24)10-16(17)18(22)26-12-14-4-2-3-13(9-14)11-19/h2-6,9-10,20H,7-8,12H2,1H3