[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-bromanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-bromanyl-3-nitro-benzoate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 4-bromo-3-nitro-benzoate CAS Name: 4-bromo-3-nitrobenzoic acid [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] ester IUPAC Name: [2-oxo-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-bromo-3-nitrobenzoate Traditional Name: 4-bromo-3-nitro-benzoic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C19H17BrN2O5 MolecularWeight: 433.25268

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

Isomeric SMILES

C1CC(C2=CC=CC=C2C1)NC(=O)COC(=O)C3=CC(=C(C=C3)Br)[N+](=O)[O-]

InChI

InChI=1S/C19H17BrN2O5/c20-15-9-8-13(10-17(15)22(25)26)19(24)27-11-18(23)21-16-7-3-5-12-4-1-2-6-14(12)16/h1-2,4,6,8-10,16H,3,5,7,11H2,(H,21,23)