[2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-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] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-keto-2-(tetralin-1-ylamino)ethyl] ester Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2CCCC3=CC=CC=C23

Isomeric SMILES

CN(C)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)NC2CCCC3=CC=CC=C23

InChI

InChI=1S/C21H23N3O5/c1-23(2)19-11-10-15(24(27)28)12-17(19)21(26)29-13-20(25)22-18-9-5-7-14-6-3-4-8-16(14)18/h3-4,6,8,10-12,18H,5,7,9,13H2,1-2H3,(H,22,25)