N-[(2E,4E)-1-(butylamino)-1-oxidanylidene-5-phenyl-penta-2,4-dien-2-yl]-4-nitro-benzamide

Systemtic Name: N-[(2E,4E)-1-(butylamino)-1-oxidanylidene-5-phenyl-penta-2,4-dien-2-yl]-4-nitro-benzamide Openeye Name: N-[(1E,3E)-1-(butylcarbamoyl)-4-phenyl-buta-1,3-dienyl]-4-nitro-benzamide CAS Name: N-[(2E,4E)-1-(butylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide IUPAC Name: N-[(2E,4E)-1-(butylamino)-1-oxo-5-phenylpenta-2,4-dien-2-yl]-4-nitrobenzamide Traditional Name: N-[(1E,3E)-1-(butylcarbamoyl)-4-phenyl-buta-1,3-dienyl]-4-nitro-benzamide Formula: C22H23N3O4 MolecularWeight: 393.43572

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC(=O)C(=CC=CC1=CC=CC=C1)NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCNC(=O)/C(=C\C=C\C1=CC=CC=C1)/NC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H23N3O4/c1-2-3-16-23-22(27)20(11-7-10-17-8-5-4-6-9-17)24-21(26)18-12-14-19(15-13-18)25(28)29/h4-15H,2-3,16H2,1H3,(H,23,27)(H,24,26)/b10-7+,20-11+