pyridin-2-ylmethyl 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: pyridin-2-ylmethyl 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: 2-pyridylmethyl 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid 2-pyridylmethyl ester Formula: C16H17N3O5 MolecularWeight: 331.32328

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Descriptors Computed from Structure

Canonical SMILES:

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=N2

Isomeric SMILES

COCCNC1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC2=CC=CC=N2

InChI

InChI=1S/C16H17N3O5/c1-23-9-8-18-15-6-5-13(19(21)22)10-14(15)16(20)24-11-12-4-2-3-7-17-12/h2-7,10,18H,8-9,11H2,1H3