N-[(4-chlorophenyl)methyl]-2-[(2-iodanyl-4-nitro-phenyl)-prop-2-enyl-amino]-4-methyl-pentanamide

Systemtic Name: N-[(4-chlorophenyl)methyl]-2-[(2-iodanyl-4-nitro-phenyl)-prop-2-enyl-amino]-4-methyl-pentanamide Openeye Name: 2-(N-allyl-2-iodo-4-nitro-anilino)-N-[(4-chlorophenyl)methyl]-4-methyl-pentanamide CAS Name: N-[(4-chlorophenyl)methyl]-2-(2-iodo-4-nitro-N-prop-2-enylanilino)-4-methylpentanamide IUPAC Name: N-[(4-chlorophenyl)methyl]-2-(2-iodo-4-nitro-N-prop-2-enylanilino)-4-methylpentanamide Traditional Name: 2-(N-allyl-2-iodo-4-nitro-anilino)-N-(4-chlorobenzyl)-4-methyl-valeramide Formula: C22H25ClIN3O3 MolecularWeight: 541.80967

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C(=O)NCC1=CC=C(C=C1)Cl)N(CC=C)C2=C(C=C(C=C2)[N+](=O)[O-])I

Isomeric SMILES

CC(C)CC(C(=O)NCC1=CC=C(C=C1)Cl)N(CC=C)C2=C(C=C(C=C2)[N+](=O)[O-])I

InChI

InChI=1S/C22H25ClIN3O3/c1-4-11-26(20-10-9-18(27(29)30)13-19(20)24)21(12-15(2)3)22(28)25-14-16-5-7-17(23)8-6-16/h4-10,13,15,21H,1,11-12,14H2,2-3H3,(H,25,28)