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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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