4-chloranyl-N-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(1S)-2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-chloro-N-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(1S)-2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C19H20ClN3O4 MolecularWeight: 389.8328

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC(=C1NC(=O)C(C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

Isomeric SMILES

CCC1=CC=CC(=C1NC(=O)[C@H](C)NC(=O)C2=CC(=C(C=C2)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C19H20ClN3O4/c1-4-13-7-5-6-11(2)17(13)22-18(24)12(3)21-19(25)14-8-9-15(20)16(10-14)23(26)27/h5-10,12H,4H2,1-3H3,(H,21,25)(H,22,24)/t12-/m0/s1