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

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

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CCCCOC(=O)C1=CC=C(C=C1)NC(=O)CN2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

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