N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide

Systemtic Name: N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxidanylidene-ethyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxo-ethyl]-4-methyl-3-nitro-benzamide CAS Name: N-[2-[2-(4-methoxyphenyl)-1-pyrrolidinyl]-2-oxoethyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[2-[2-(4-methoxyphenyl)pyrrolidin-1-yl]-2-oxoethyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[2-keto-2-[2-(4-methoxyphenyl)pyrrolidino]ethyl]-4-methyl-3-nitro-benzamide Formula: C21H23N3O5 MolecularWeight: 397.42442

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NCC(=O)N2CCCC2C3=CC=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C21H23N3O5/c1-14-5-6-16(12-19(14)24(27)28)21(26)22-13-20(25)23-11-3-4-18(23)15-7-9-17(29-2)10-8-15/h5-10,12,18H,3-4,11,13H2,1-2H3,(H,22,26)