(2S)-N-ethyl-2-[2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-(2-keto-6-nitro-1,3-benzoxazol-3-yl)acetyl]amino]propionamide Formula: C14H16N4O6 MolecularWeight: 336.30004

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Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CN1C2=C(C=C(C=C2)[N+](=O)[O-])OC1=O

InChI

InChI=1S/C14H16N4O6/c1-3-15-13(20)8(2)16-12(19)7-17-10-5-4-9(18(22)23)6-11(10)24-14(17)21/h4-6,8H,3,7H2,1-2H3,(H,15,20)(H,16,19)/t8-/m0/s1