[2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate

Systemtic Name: [2-[(4-iodanyl-2-methyl-phenyl)amino]-2-oxidanylidene-ethyl] 4-[(2-nitrophenyl)amino]butanoate Openeye Name: [2-(4-iodo-2-methyl-anilino)-2-oxo-ethyl] 4-(2-nitroanilino)butanoate CAS Name: 4-(2-nitroanilino)butanoic acid [2-(4-iodo-2-methylanilino)-2-oxoethyl] ester IUPAC Name: [2-(4-iodo-2-methylanilino)-2-oxoethyl] 4-(2-nitroanilino)butanoate Traditional Name: 4-(2-nitroanilino)butyric acid [2-(4-iodo-2-methyl-anilino)-2-keto-ethyl] ester Formula: C19H20IN3O5 MolecularWeight: 497.28367

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)I)NC(=O)COC(=O)CCCNC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C19H20IN3O5/c1-13-11-14(20)8-9-15(13)22-18(24)12-28-19(25)7-4-10-21-16-5-2-3-6-17(16)23(26)27/h2-3,5-6,8-9,11,21H,4,7,10,12H2,1H3,(H,22,24)