3-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one

Systemtic Name: 3-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxidanylidene-butyl]-6-nitro-1,3-benzoxazol-2-one Openeye Name: 3-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxo-butyl]-6-nitro-1,3-benzoxazol-2-one CAS Name: 3-[4-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one IUPAC Name: 3-[4-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-4-oxobutyl]-6-nitro-1,3-benzoxazol-2-one Traditional Name: 3-[4-keto-4-[2-(4-methoxyphenyl)pyrrolidino]butyl]-6-nitro-1,3-benzoxazol-2-one Formula: C22H23N3O6 MolecularWeight: 425.43452

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2CCCN2C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

COC1=CC=C(C=C1)C2CCCN2C(=O)CCCN3C4=C(C=C(C=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C22H23N3O6/c1-30-17-9-6-15(7-10-17)18-4-2-12-23(18)21(26)5-3-13-24-19-11-8-16(25(28)29)14-20(19)31-22(24)27/h6-11,14,18H,2-5,12-13H2,1H3