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

Systemtic Name: N-[(2S)-1-[(2-ethyl-6-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(2-ethyl-6-methyl-anilino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(2-ethyl-6-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(2-ethyl-6-methyl-anilino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C19H21N3O4 MolecularWeight: 355.38774

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H21N3O4/c1-4-14-8-5-7-12(2)17(14)21-18(23)13(3)20-19(24)15-9-6-10-16(11-15)22(25)26/h5-11,13H,4H2,1-3H3,(H,20,24)(H,21,23)/t13-/m0/s1