3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]benzamide

Systemtic Name: 3-[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]benzamide Openeye Name: 3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide CAS Name: 3-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]benzamide IUPAC Name: 3-[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]benzamide Traditional Name: 3-[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]benzamide Formula: C18H16N4O6 MolecularWeight: 384.34284

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(=O)N

Isomeric SMILES

C1=CC(=CC(=C1)NC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(=O)N

InChI

InChI=1S/C18H16N4O6/c19-17(24)11-3-1-4-12(9-11)20-16(23)5-2-8-21-14-7-6-13(22(26)27)10-15(14)28-18(21)25/h1,3-4,6-7,9-10H,2,5,8H2,(H2,19,24)(H,20,23)