N-[4-[1-(4-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylphenyl]-3-nitro-benzamide

Systemtic Name: N-[4-[1-(4-butoxyphenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylphenyl]-3-nitro-benzamide Openeye Name: N-[4-[1-(4-butoxyphenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylphenyl]-3-nitro-benzamide CAS Name: N-[4-[[1-(4-butoxyphenyl)-2,5-dioxo-3-pyrrolidinyl]thio]phenyl]-3-nitrobenzamide IUPAC Name: N-[4-[1-(4-butoxyphenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]-3-nitrobenzamide Traditional Name: N-[4-[[1-(4-butoxyphenyl)-2,5-diketo-pyrrolidin-3-yl]thio]phenyl]-3-nitro-benzamide Formula: C27H25N3O6S MolecularWeight: 519.5689

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)N2C(=O)CC(C2=O)SC3=CC=C(C=C3)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C27H25N3O6S/c1-2-3-15-36-22-11-9-20(10-12-22)29-25(31)17-24(27(29)33)37-23-13-7-19(8-14-23)28-26(32)18-5-4-6-21(16-18)30(34)35/h4-14,16,24H,2-3,15,17H2,1H3,(H,28,32)