N-[1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)pent-4-enamide

Systemtic Name: N-[1-(4-nitrophenyl)-2-oxidanylidene-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)pent-4-enamide Openeye Name: N-benzyl-N-[2-(benzylamino)-1-(4-nitrophenyl)-2-oxo-ethyl]pent-4-enamide CAS Name: N-[1-(4-nitrophenyl)-2-oxo-2-[(phenylmethyl)amino]ethyl]-N-(phenylmethyl)-4-pentenamide IUPAC Name: N-benzyl-N-[2-(benzylamino)-1-(4-nitrophenyl)-2-oxoethyl]pent-4-enamide Traditional Name: N-benzyl-N-[2-(benzylamino)-2-keto-1-(4-nitrophenyl)ethyl]pent-4-enamide Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

C=CCCC(=O)N(CC1=CC=CC=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

Isomeric SMILES

C=CCCC(=O)N(CC1=CC=CC=C1)C(C2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3=CC=CC=C3

InChI

InChI=1S/C27H27N3O4/c1-2-3-14-25(31)29(20-22-12-8-5-9-13-22)26(23-15-17-24(18-16-23)30(33)34)27(32)28-19-21-10-6-4-7-11-21/h2,4-13,15-18,26H,1,3,14,19-20H2,(H,28,32)