3,3-dimethyl-1-[2-(2-methyl-4-nitro-phenyl)imino-1,3-thiazolidin-3-yl]butan-2-one

Systemtic Name: 3,3-dimethyl-1-[2-(2-methyl-4-nitro-phenyl)imino-1,3-thiazolidin-3-yl]butan-2-one Openeye Name: 3,3-dimethyl-1-[2-(2-methyl-4-nitro-phenyl)iminothiazolidin-3-yl]butan-2-one CAS Name: 3,3-dimethyl-1-[2-(2-methyl-4-nitrophenyl)imino-3-thiazolidinyl]-2-butanone IUPAC Name: 3,3-dimethyl-1-[2-(2-methyl-4-nitrophenyl)imino-1,3-thiazolidin-3-yl]butan-2-one Traditional Name: 3,3-dimethyl-1-[2-(2-methyl-4-nitro-phenyl)iminothiazolidin-3-yl]butan-2-one Formula: C16H21N3O3S MolecularWeight: 335.42124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(CCS2)CC(=O)C(C)(C)C

Isomeric SMILES

CC1=C(C=CC(=C1)[N+](=O)[O-])N=C2N(CCS2)CC(=O)C(C)(C)C

InChI

InChI=1S/C16H21N3O3S/c1-11-9-12(19(21)22)5-6-13(11)17-15-18(7-8-23-15)10-14(20)16(2,3)4/h5-6,9H,7-8,10H2,1-4H3