[1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [1-oxidanylidene-1-(1-phenylethylamino)propan-2-yl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [1-methyl-2-oxo-2-(1-phenylethylamino)ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [1-oxo-1-(1-phenylethylamino)propan-2-yl] ester IUPAC Name: [1-oxo-1-(1-phenylethylamino)propan-2-yl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [2-keto-1-methyl-2-(1-phenylethylamino)ethyl] ester Formula: C20H23N3O5 MolecularWeight: 385.41372

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC(C1=CC=CC=C1)NC(=O)C(C)OC(=O)C2=CC(=C(C=C2)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C20H23N3O5/c1-13(15-8-6-5-7-9-15)21-19(24)14(2)28-20(25)16-10-11-17(22(3)4)18(12-16)23(26)27/h5-14H,1-4H3,(H,21,24)