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

Systemtic Name: 3-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxidanylidene-ethyl]-5-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]-2-oxo-ethyl]-5-nitro-1,3-benzoxazol-2-one CAS Name: 3-[2-[1-(3-methoxypropyl)-2,5-dimethyl-3-pyrrolyl]-2-oxoethyl]-5-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[2-[1-(3-methoxypropyl)-2,5-dimethylpyrrol-3-yl]-2-oxoethyl]-5-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[2-keto-2-[1-(3-methoxypropyl)-2,5-dimethyl-pyrrol-3-yl]ethyl]-5-nitro-1,3-benzoxazol-2-one Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(N1CCCOC)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

Isomeric SMILES

CC1=CC(=C(N1CCCOC)C)C(=O)CN2C3=C(C=CC(=C3)[N+](=O)[O-])OC2=O

InChI

InChI=1S/C19H21N3O6/c1-12-9-15(13(2)20(12)7-4-8-27-3)17(23)11-21-16-10-14(22(25)26)5-6-18(16)28-19(21)24/h5-6,9-10H,4,7-8,11H2,1-3H3