2-[[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]carbonylamino]methyl]-4-nitro-phenolate

Systemtic Name: 2-[[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]phenyl]carbonylamino]methyl]-4-nitro-phenolate Openeye Name: 2-[[[3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoyl]amino]methyl]-4-nitro-phenolate CAS Name: 2-[[[[3-[(3,5-dimethyl-4-isoxazolyl)methoxy]phenyl]-oxomethyl]amino]methyl]-4-nitrophenolate IUPAC Name: 2-[[[3-[(3,5-dimethyl-1,2-oxazol-4-yl)methoxy]benzoyl]amino]methyl]-4-nitrophenolate Traditional Name: 2-[[[3-[(3,5-dimethylisoxazol-4-yl)methoxy]benzoyl]amino]methyl]-4-nitro-phenolate Formula: C20H18N3O6- MolecularWeight: 396.37342

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

CC1=C(C(=NO1)C)COC2=CC=CC(=C2)C(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C20H19N3O6/c1-12-18(13(2)29-22-12)11-28-17-5-3-4-14(9-17)20(25)21-10-15-8-16(23(26)27)6-7-19(15)24/h3-9,24H,10-11H2,1-2H3,(H,21,25)/p-1