methyl 4-(5-acetamido-6-nitro-1,3-benzoxazol-2-yl)benzoate

Systemtic Name: methyl 4-(5-acetamido-6-nitro-1,3-benzoxazol-2-yl)benzoate Openeye Name: methyl 4-(5-acetamido-6-nitro-1,3-benzoxazol-2-yl)benzoate CAS Name: 4-(5-acetamido-6-nitro-1,3-benzoxazol-2-yl)benzoic acid methyl ester IUPAC Name: methyl 4-(5-acetamido-6-nitro-1,3-benzoxazol-2-yl)benzoate Traditional Name: 4-(5-acetamido-6-nitro-1,3-benzoxazol-2-yl)benzoic acid methyl ester Formula: C17H13N3O6 MolecularWeight: 355.30162

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=C(C=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

Isomeric SMILES

CC(=O)NC1=C(C=C2C(=C1)N=C(O2)C3=CC=C(C=C3)C(=O)OC)[N+](=O)[O-]

InChI

InChI=1S/C17H13N3O6/c1-9(21)18-12-7-13-15(8-14(12)20(23)24)26-16(19-13)10-3-5-11(6-4-10)17(22)25-2/h3-8H,1-2H3,(H,18,21)