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

Systemtic Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-oxo-ethyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[2,5-dimethyl-1-(phenylmethyl)-3-pyrrolyl]-2-oxoethyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-(1-benzyl-2,5-dimethylpyrrol-3-yl)-2-oxoethyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-(1-benzyl-2,5-dimethyl-pyrrol-3-yl)-2-keto-ethyl]-5-nitro-1,3-benzoxazol-2-one Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC(=C(N1CC2=CC=CC=C2)C)C(=O)CN3C4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H19N3O5/c1-14-10-18(15(2)23(14)12-16-6-4-3-5-7-16)20(26)13-24-19-11-17(25(28)29)8-9-21(19)30-22(24)27/h3-11H,12-13H2,1-2H3