N-(4-chloranyl-2-nitro-phenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide CAS Name: N-(4-chloro-2-nitrophenyl)-4-[(2,4,6-trimethylphenoxy)methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-4-[(2,4,6-trimethylphenoxy)methyl]thiophene-2-carboxamide Formula: C21H19ClN2O4S MolecularWeight: 430.90456

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)OCC2=CSC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)OCC2=CSC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C

InChI

InChI=1S/C21H19ClN2O4S/c1-12-6-13(2)20(14(3)7-12)28-10-15-8-19(29-11-15)21(25)23-17-5-4-16(22)9-18(17)24(26)27/h4-9,11H,10H2,1-3H3,(H,23,25)