2-chloranyl-N-[(2S)-1-[(3,4-dimethylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide

Systemtic Name: 2-chloranyl-N-[(2S)-1-[(3,4-dimethylphenyl)amino]-3-methyl-1-oxidanylidene-butan-2-yl]-4-nitro-benzamide Openeye Name: 2-chloro-N-[(1S)-1-[(3,4-dimethylphenyl)carbamoyl]-2-methyl-propyl]-4-nitro-benzamide CAS Name: 2-chloro-N-[(2S)-1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide IUPAC Name: 2-chloro-N-[(2S)-1-(3,4-dimethylanilino)-3-methyl-1-oxobutan-2-yl]-4-nitrobenzamide Traditional Name: 2-chloro-N-[(1S)-1-[(3,4-dimethylphenyl)carbamoyl]-2-methyl-propyl]-4-nitro-benzamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)NC(=O)C(C(C)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

Isomeric SMILES

CC1=C(C=C(C=C1)NC(=O)[C@H](C(C)C)NC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])Cl)C

InChI

InChI=1S/C20H22ClN3O4/c1-11(2)18(20(26)22-14-6-5-12(3)13(4)9-14)23-19(25)16-8-7-15(24(27)28)10-17(16)21/h5-11,18H,1-4H3,(H,22,26)(H,23,25)/t18-/m0/s1