5-nitro-3-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-benzoxazol-2-one

Systemtic Name: 5-nitro-3-[2-oxidanylidene-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-benzoxazol-2-one Openeye Name: 5-nitro-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-benzoxazol-2-one CAS Name: 5-nitro-3-[2-oxo-2-(1,2,5-trimethyl-3-pyrrolyl)ethyl]-1,3-benzoxazol-2-one IUPAC Name: 5-nitro-3-[2-oxo-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-(1,2,5-trimethylpyrrol-3-yl)ethyl]-5-nitro-1,3-benzoxazol-2-one Formula: C16H15N3O5 MolecularWeight: 329.3074

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC(=C(N1C)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C16H15N3O5/c1-9-6-12(10(2)17(9)3)14(20)8-18-13-7-11(19(22)23)4-5-15(13)24-16(18)21/h4-7H,8H2,1-3H3