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

Systemtic Name: methyl 4-[[4-(6-nitro-2-oxidanylidene-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzoate Openeye Name: methyl 4-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzoate CAS Name: 4-[[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)-1-oxobutyl]amino]methyl]benzoic acid methyl ester IUPAC Name: methyl 4-[[4-(6-nitro-2-oxo-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzoate Traditional Name: 4-[[4-(2-keto-6-nitro-1,3-benzoxazol-3-yl)butanoylamino]methyl]benzoic acid methyl ester Formula: C20H19N3O7 MolecularWeight: 413.38076

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H19N3O7/c1-29-19(25)14-6-4-13(5-7-14)12-21-18(24)3-2-10-22-16-9-8-15(23(27)28)11-17(16)30-20(22)26/h4-9,11H,2-3,10,12H2,1H3,(H,21,24)