(2E)-N-(4-nitrophenyl)-3-oxidanylidene-2-[(4-piperidin-1-ylphenyl)methylidene]butanamide

Systemtic Name: (2E)-N-(4-nitrophenyl)-3-oxidanylidene-2-[(4-piperidin-1-ylphenyl)methylidene]butanamide Openeye Name: (2E)-N-(4-nitrophenyl)-3-oxo-2-[[4-(1-piperidyl)phenyl]methylene]butanamide CAS Name: (2E)-N-(4-nitrophenyl)-3-oxo-2-[[4-(1-piperidinyl)phenyl]methylidene]butanamide IUPAC Name: (2E)-N-(4-nitrophenyl)-3-oxo-2-[(4-piperidin-1-ylphenyl)methylidene]butanamide Traditional Name: (E)-2-acetyl-N-(4-nitrophenyl)-3-(4-piperidinophenyl)acrylamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C(=CC1=CC=C(C=C1)N2CCCCC2)C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC(=O)/C(=C\C1=CC=C(C=C1)N2CCCCC2)/C(=O)NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-16(26)21(22(27)23-18-7-11-20(12-8-18)25(28)29)15-17-5-9-19(10-6-17)24-13-3-2-4-14-24/h5-12,15H,2-4,13-14H2,1H3,(H,23,27)/b21-15+