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

Systemtic Name: N-[(2S)-1-[(4-bromophenyl)amino]-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: N-[(1S)-2-(4-bromoanilino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: N-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(4-bromoanilino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: N-[(1S)-2-(4-bromoanilino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C16H14BrN3O4 MolecularWeight: 392.20406

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)NC1=CC=C(C=C1)Br)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C[C@@H](C(=O)NC1=CC=C(C=C1)Br)NC(=O)C2=CC(=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C16H14BrN3O4/c1-10(15(21)19-13-7-5-12(17)6-8-13)18-16(22)11-3-2-4-14(9-11)20(23)24/h2-10H,1H3,(H,18,22)(H,19,21)/t10-/m0/s1