pyridin-2-ylmethyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: pyridin-2-ylmethyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: 2-pyridylmethyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid 2-pyridinylmethyl ester IUPAC Name: pyridin-2-ylmethyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid 2-pyridylmethyl ester Formula: C20H17N3O4 MolecularWeight: 363.36668

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=N3

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CC=CC=N3

InChI

InChI=1S/C20H17N3O4/c24-20(27-14-16-8-4-5-11-21-16)18-12-17(23(25)26)9-10-19(18)22-13-15-6-2-1-3-7-15/h1-12,22H,13-14H2