N-(4-chloranyl-2-nitro-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide

Systemtic Name: N-(4-chloranyl-2-nitro-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Openeye Name: N-(4-chloro-2-nitro-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide CAS Name: N-(4-chloro-2-nitrophenyl)-4-[(3,5-dimethyl-4-nitro-1-pyrazolyl)methyl]-2-thiophenecarboxamide IUPAC Name: N-(4-chloro-2-nitrophenyl)-4-[(3,5-dimethyl-4-nitropyrazol-1-yl)methyl]thiophene-2-carboxamide Traditional Name: N-(4-chloro-2-nitro-phenyl)-4-[(3,5-dimethyl-4-nitro-pyrazol-1-yl)methyl]thiophene-2-carboxamide Formula: C17H14ClN5O5S MolecularWeight: 435.84156

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NN1CC2=CSC(=C2)C(=O)NC3=C(C=C(C=C3)Cl)[N+](=O)[O-])C)[N+](=O)[O-]

InChI

InChI=1S/C17H14ClN5O5S/c1-9-16(23(27)28)10(2)21(20-9)7-11-5-15(29-8-11)17(24)19-13-4-3-12(18)6-14(13)22(25)26/h3-6,8H,7H2,1-2H3,(H,19,24)