[1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 5-morpholin-4-yl-2-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 5-morpholin-4-yl-2-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(tetralin-1-ylamino)ethyl] 5-morpholino-2-nitro-benzoate CAS Name: 5-(4-morpholinyl)-2-nitrobenzoic acid [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1,2,3,4-tetrahydronaphthalen-1-ylamino)propan-2-yl] 5-morpholin-4-yl-2-nitrobenzoate Traditional Name: 5-morpholino-2-nitro-benzoic acid [2-keto-1-methyl-2-(tetralin-1-ylamino)ethyl] ester Formula: C24H27N3O6 MolecularWeight: 453.48768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

Isomeric SMILES

CC(C(=O)NC1CCCC2=CC=CC=C12)OC(=O)C3=C(C=CC(=C3)N4CCOCC4)[N+](=O)[O-]

InChI

InChI=1S/C24H27N3O6/c1-16(23(28)25-21-8-4-6-17-5-2-3-7-19(17)21)33-24(29)20-15-18(9-10-22(20)27(30)31)26-11-13-32-14-12-26/h2-3,5,7,9-10,15-16,21H,4,6,8,11-14H2,1H3,(H,25,28)