(2S)-N-ethyl-2-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]propanamide

Systemtic Name: (2S)-N-ethyl-2-[2-(6-nitro-3-oxidanylidene-1,4-benzoxazin-4-yl)ethanoylamino]propanamide Openeye Name: (2S)-N-ethyl-2-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanamide CAS Name: (2S)-N-ethyl-2-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)-1-oxoethyl]amino]propanamide IUPAC Name: (2S)-N-ethyl-2-[[2-(6-nitro-3-oxo-1,4-benzoxazin-4-yl)acetyl]amino]propanamide Traditional Name: (2S)-N-ethyl-2-[[2-(3-keto-6-nitro-1,4-benzoxazin-4-yl)acetyl]amino]propionamide Formula: C15H18N4O6 MolecularWeight: 350.32662

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC(=O)C(C)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCNC(=O)[C@H](C)NC(=O)CN1C(=O)COC2=C1C=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C15H18N4O6/c1-3-16-15(22)9(2)17-13(20)7-18-11-6-10(19(23)24)4-5-12(11)25-8-14(18)21/h4-6,9H,3,7-8H2,1-2H3,(H,16,22)(H,17,20)/t9-/m0/s1