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

Systemtic Name: N-[(2S)-1-[(4-bromanyl-3-methyl-phenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(4-bromo-3-methyl-anilino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(4-bromo-3-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(4-bromo-3-methylanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(4-bromo-3-methyl-anilino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C17H16BrN3O4 MolecularWeight: 406.23064

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C17H16BrN3O4/c1-10-8-13(6-7-15(10)18)20-16(22)11(2)19-17(23)12-4-3-5-14(9-12)21(24)25/h3-9,11H,1-2H3,(H,19,23)(H,20,22)/t11-/m0/s1