N-[(2S)-butan-2-yl]-4-(methylamino)-3-nitro-benzamide

Systemtic Name: N-[(2S)-butan-2-yl]-4-(methylamino)-3-nitro-benzamide Openeye Name: 4-(methylamino)-N-[(1S)-1-methylpropyl]-3-nitro-benzamide CAS Name: N-[(2S)-butan-2-yl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[(2S)-butan-2-yl]-4-(methylamino)-3-nitrobenzamide Traditional Name: 4-(methylamino)-N-[(1S)-1-methylpropyl]-3-nitro-benzamide Formula: C12H17N3O3 MolecularWeight: 251.28168

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H17N3O3/c1-4-8(2)14-12(16)9-5-6-10(13-3)11(7-9)15(17)18/h5-8,13H,4H2,1-3H3,(H,14,16)/t8-/m0/s1