[(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate

Systemtic Name: [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxidanylidene-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate Openeye Name: [(1S)-2-[(5-methylisoxazol-3-yl)amino]-2-oxo-1-phenyl-ethyl] 4-(dimethylamino)-3-nitro-benzoate CAS Name: 4-(dimethylamino)-3-nitrobenzoic acid [(1S)-2-[(5-methyl-3-isoxazolyl)amino]-2-oxo-1-phenylethyl] ester IUPAC Name: [(1S)-2-[(5-methyl-1,2-oxazol-3-yl)amino]-2-oxo-1-phenylethyl] 4-(dimethylamino)-3-nitrobenzoate Traditional Name: 4-(dimethylamino)-3-nitro-benzoic acid [(1S)-2-keto-2-[(5-methylisoxazol-3-yl)amino]-1-phenyl-ethyl] ester Formula: C21H20N4O6 MolecularWeight: 424.4067

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=NO1)NC(=O)C(C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=NO1)NC(=O)[C@H](C2=CC=CC=C2)OC(=O)C3=CC(=C(C=C3)N(C)C)[N+](=O)[O-]

InChI

InChI=1S/C21H20N4O6/c1-13-11-18(23-31-13)22-20(26)19(14-7-5-4-6-8-14)30-21(27)15-9-10-16(24(2)3)17(12-15)25(28)29/h4-12,19H,1-3H3,(H,22,23,26)/t19-/m0/s1