[(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxidanylidene-propan-2-yl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [(1R)-1-methyl-2-(1-naphthylamino)-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [(2R)-1-(1-naphthalenylamino)-1-oxopropan-2-yl] ester IUPAC Name: [(2R)-1-(naphthalen-1-ylamino)-1-oxopropan-2-yl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [(1R)-2-keto-1-methyl-2-(1-naphthylamino)ethyl] ester Formula: C22H21N3O5 MolecularWeight: 407.41924

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

Isomeric SMILES

C[C@H](C(=O)NC1=CC=CC2=CC=CC=C21)OC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C22H21N3O5/c1-14(21(26)23-19-10-6-8-15-7-4-5-9-17(15)19)30-22(27)18-13-16(25(28)29)11-12-20(18)24(2)3/h4-14H,1-3H3,(H,23,26)/t14-/m1/s1