1-methyl-2-nitro-benzene; 2-(4-oxidanylidene-3-phenethyl-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide

Systemtic Name: 1-methyl-2-nitro-benzene; 2-(4-oxidanylidene-3-phenethyl-2-phenylazanyl-1,3-thiazol-3-ium-5-yl)ethanamide Openeye Name: 2-(2-anilino-4-oxo-3-phenethyl-thiazol-3-ium-5-yl)acetamide; 1-methyl-2-nitro-benzene CAS Name: 2-(2-anilino-4-oxo-3-phenethyl-5-thiazol-3-iumyl)acetamide; 1-methyl-2-nitrobenzene IUPAC Name: 2-(2-anilino-4-oxo-3-phenethyl-1,3-thiazol-3-ium-5-yl)acetamide; 1-methyl-2-nitrobenzene Traditional Name: 2-(2-anilino-4-keto-3-phenethyl-2-thiazolin-3-ium-5-yl)acetamide; 1-methyl-2-nitro-benzene Formula: C26H27N4O4S+ MolecularWeight: 491.58198

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC=C1[N+](=O)[O-].C1=CC=C(C=C1)CC[N+]2=C(SC(C2=O)CC(=O)N)NC3=CC=CC=C3

Isomeric SMILES

CC1=CC=CC=C1[N+](=O)[O-].C1=CC=C(C=C1)CC[N+]2=C(SC(C2=O)CC(=O)N)NC3=CC=CC=C3

InChI

InChI=1S/C19H19N3O2S.C7H7NO2/c20-17(23)13-16-18(24)22(12-11-14-7-3-1-4-8-14)19(25-16)21-15-9-5-2-6-10-15;1-6-4-2-3-5-7(6)8(9)10/h1-10,16H,11-13H2,(H2,20,23);2-5H,1H3/p+1