tert-butyl 3-nitro-4-[(phenethylamino)methyl]benzoate

Systemtic Name: tert-butyl 3-nitro-4-[(phenethylamino)methyl]benzoate Openeye Name: tert-butyl 3-nitro-4-[(phenethylamino)methyl]benzoate CAS Name: 3-nitro-4-[(phenethylamino)methyl]benzoic acid tert-butyl ester IUPAC Name: tert-butyl 3-nitro-4-[(phenethylamino)methyl]benzoate Traditional Name: 3-nitro-4-[(phenethylamino)methyl]benzoic acid tert-butyl ester Formula: C20H24N2O4 MolecularWeight: 356.41556

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CNCCC2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

CC(C)(C)OC(=O)C1=CC(=C(C=C1)CNCCC2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C20H24N2O4/c1-20(2,3)26-19(23)16-9-10-17(18(13-16)22(24)25)14-21-12-11-15-7-5-4-6-8-15/h4-10,13,21H,11-12,14H2,1-3H3