N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-5-nitro-2-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(4-methoxyphenyl)-2-thiazolyl]-5-nitro-2-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-5-nitro-2-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-5-nitro-2-pyrrolidino-benzamide Formula: C21H20N4O4S MolecularWeight: 424.4729

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

Isomeric SMILES

COC1=CC=C(C=C1)C2=CSC(=N2)NC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N4CCCC4

InChI

InChI=1S/C21H20N4O4S/c1-29-16-7-4-14(5-8-16)18-13-30-21(22-18)23-20(26)17-12-15(25(27)28)6-9-19(17)24-10-2-3-11-24/h4-9,12-13H,2-3,10-11H2,1H3,(H,22,23,26)