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

Systemtic Name: N-(2-azanyl-2-oxidanylidene-ethyl)-4-[[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzamide Openeye Name: N-(2-amino-2-oxo-ethyl)-4-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzamide CAS Name: N-(2-amino-2-oxoethyl)-4-[[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]methyl]benzamide IUPAC Name: N-(2-amino-2-oxoethyl)-4-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzamide Traditional Name: N-(2-amino-2-keto-ethyl)-4-[[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzamide Formula: C21H21N5O7 MolecularWeight: 455.42074

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(=O)NCC(=O)N

Isomeric SMILES

C1=CC(=CC=C1CNC(=O)CCCN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O)C(=O)NCC(=O)N

InChI

InChI=1S/C21H21N5O7/c22-18(27)12-24-20(29)14-5-3-13(4-6-14)11-23-19(28)2-1-9-25-16-8-7-15(26(31)32)10-17(16)33-21(25)30/h3-8,10H,1-2,9,11-12H2,(H2,22,27)(H,23,28)(H,24,29)