4-nitro-2-[[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenolate

Systemtic Name: 4-nitro-2-[[3-(2-oxidanylidene-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenolate Openeye Name: 4-nitro-2-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenolate CAS Name: 4-nitro-2-[[[1-oxo-3-(2-oxo-1,3-benzoxazol-3-yl)propyl]amino]methyl]phenolate IUPAC Name: 4-nitro-2-[[3-(2-oxo-1,3-benzoxazol-3-yl)propanoylamino]methyl]phenolate Traditional Name: 2-[[3-(2-keto-1,3-benzoxazol-3-yl)propanoylamino]methyl]-4-nitro-phenolate Formula: C17H14N3O6- MolecularWeight: 356.30956

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

Isomeric SMILES

C1=CC=C2C(=C1)N(C(=O)O2)CCC(=O)NCC3=C(C=CC(=C3)[N+](=O)[O-])[O-]

InChI

InChI=1S/C17H15N3O6/c21-14-6-5-12(20(24)25)9-11(14)10-18-16(22)7-8-19-13-3-1-2-4-15(13)26-17(19)23/h1-6,9,21H,7-8,10H2,(H,18,22)/p-1