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

Systemtic Name: 4-bromanyl-N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-3-nitro-benzamide Openeye Name: 4-bromo-N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-3-nitro-benzamide CAS Name: 4-bromo-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide IUPAC Name: 4-bromo-N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-3-nitrobenzamide Traditional Name: 4-bromo-N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-3-nitro-benzamide Formula: C12H14BrN3O4 MolecularWeight: 344.16126

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H14BrN3O4/c1-3-14-11(17)7(2)15-12(18)8-4-5-9(13)10(6-8)16(19)20/h4-7H,3H2,1-2H3,(H,14,17)(H,15,18)/t7-/m0/s1