N-[4-[1-(4-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylphenyl]butanamide

Systemtic Name: N-[4-[1-(4-nitrophenyl)-2,5-bis(oxidanylidene)pyrrolidin-3-yl]sulfanylphenyl]butanamide Openeye Name: N-[4-[1-(4-nitrophenyl)-2,5-dioxo-pyrrolidin-3-yl]sulfanylphenyl]butanamide CAS Name: N-[4-[[1-(4-nitrophenyl)-2,5-dioxo-3-pyrrolidinyl]thio]phenyl]butanamide IUPAC Name: N-[4-[1-(4-nitrophenyl)-2,5-dioxopyrrolidin-3-yl]sulfanylphenyl]butanamide Traditional Name: N-[4-[[2,5-diketo-1-(4-nitrophenyl)pyrrolidin-3-yl]thio]phenyl]butyramide Formula: C20H19N3O5S MolecularWeight: 413.44696

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Descriptors Computed from Structure

Canonical SMILES:

CCCC(=O)NC1=CC=C(C=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCC(=O)NC1=CC=C(C=C1)SC2CC(=O)N(C2=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H19N3O5S/c1-2-3-18(24)21-13-4-10-16(11-5-13)29-17-12-19(25)22(20(17)26)14-6-8-15(9-7-14)23(27)28/h4-11,17H,2-3,12H2,1H3,(H,21,24)