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

Systemtic Name: N-[(2S)-1-(ethylamino)-1-oxidanylidene-propan-2-yl]-4-(methylamino)-3-nitro-benzamide Openeye Name: N-[(1S)-2-(ethylamino)-1-methyl-2-oxo-ethyl]-4-(methylamino)-3-nitro-benzamide CAS Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methylamino)-3-nitrobenzamide IUPAC Name: N-[(2S)-1-(ethylamino)-1-oxopropan-2-yl]-4-(methylamino)-3-nitrobenzamide Traditional Name: N-[(1S)-2-(ethylamino)-2-keto-1-methyl-ethyl]-4-(methylamino)-3-nitro-benzamide Formula: C13H18N4O4 MolecularWeight: 294.30642

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H18N4O4/c1-4-15-12(18)8(2)16-13(19)9-5-6-10(14-3)11(7-9)17(20)21/h5-8,14H,4H2,1-3H3,(H,15,18)(H,16,19)/t8-/m0/s1