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

Systemtic Name: [2-oxidanylidene-2-(1,2,3,4-tetrahydronaphthalen-1-ylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [2-oxo-2-(tetralin-1-ylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-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-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-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)C(=O)OCC(=O)NC2CCCC3=CC=CC=C23)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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