2-[[[(2R)-2-(4-chlorophenyl)-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[(2R)-2-(4-chlorophenyl)-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[(2R)-2-(4-chlorophenyl)-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[(2R)-2-(4-chlorophenyl)-3-methyl-1-oxobutyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[(2R)-2-(4-chlorophenyl)-3-methylbutanoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[(2R)-2-(4-chlorophenyl)-3-methyl-butanoyl]amino]methyl]-4-nitro-phenolate Formula: C18H18ClN2O4- MolecularWeight: 361.79952

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC=C(C=C1)Cl)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CC(C)[C@H](C1=CC=C(C=C1)Cl)C(=O)NCC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C18H19ClN2O4/c1-11(2)17(12-3-5-14(19)6-4-12)18(23)20-10-13-9-15(21(24)25)7-8-16(13)22/h3-9,11,17,22H,10H2,1-2H3,(H,20,23)/p-1/t17-/m1/s1