(phenylmethyl) 6-nitro-2-oxidanylidene-1,3-benzoxazole-3-carboxylate

Systemtic Name: (phenylmethyl) 6-nitro-2-oxidanylidene-1,3-benzoxazole-3-carboxylate Openeye Name: benzyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate CAS Name: 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylic acid (phenylmethyl) ester IUPAC Name: benzyl 6-nitro-2-oxo-1,3-benzoxazole-3-carboxylate Traditional Name: 2-keto-6-nitro-1,3-benzoxazole-3-carboxylic acid benzyl ester Formula: C15H10N2O6 MolecularWeight: 314.2497

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)COC(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

C1=CC=C(C=C1)COC(=O)N2C3=C(C=C(C=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C15H10N2O6/c18-14(22-9-10-4-2-1-3-5-10)16-12-7-6-11(17(20)21)8-13(12)23-15(16)19/h1-8H,9H2