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

Systemtic Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxidanylidene-ethyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-(1-ethyl-2,5-dimethyl-3-pyrrolyl)-2-oxoethyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(1-ethyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-(1-ethyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-1,3-benzoxazol-2-one Formula: C17H17N3O5 MolecularWeight: 343.33398

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Descriptors Computed from Structure

Canonical SMILES:

CCN1C(=CC(=C1C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C

Isomeric SMILES

CCN1C(=CC(=C1C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O)C

InChI

InChI=1S/C17H17N3O5/c1-4-18-10(2)7-13(11(18)3)15(21)9-19-14-8-12(20(23)24)5-6-16(14)25-17(19)22/h5-8H,4,9H2,1-3H3