4-chloranyl-N-[(2S)-3-methyl-1-[(2-methylphenyl)methylamino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-3-methyl-1-[(2-methylphenyl)methylamino]-1-oxidanylidene-butan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-methyl-1-(o-tolylmethylcarbamoyl)propyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-3-methyl-1-[(2-methylphenyl)methylamino]-1-oxobutan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-3-methyl-1-[(2-methylphenyl)methylamino]-1-oxobutan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-methyl-1-[(2-methylbenzyl)carbamoyl]propyl]-3-nitro-benzamide Formula: C20H22ClN3O4 MolecularWeight: 403.85938

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1CNC(=O)C(C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=CC=C1CNC(=O)[C@H](C(C)C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C20H22ClN3O4/c1-12(2)18(20(26)22-11-15-7-5-4-6-13(15)3)23-19(25)14-8-9-16(21)17(10-14)24(27)28/h4-10,12,18H,11H2,1-3H3,(H,22,26)(H,23,25)/t18-/m0/s1