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

Systemtic Name: N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-4-nitro-benzamide Openeye Name: N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-4-nitro-benzamide CAS Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-nitrobenzamide IUPAC Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-nitrobenzamide Traditional Name: N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-4-nitro-benzamide Formula: C12H15N3O4 MolecularWeight: 265.2652

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C12H15N3O4/c1-3-13-11(16)8(2)14-12(17)9-4-6-10(7-5-9)15(18)19/h4-8H,3H2,1-2H3,(H,13,16)(H,14,17)/t8-/m0/s1