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

Systemtic Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[4-(4-methoxyphenyl)-2-thiazolyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(4-methoxyphenyl)-1,3-thiazol-2-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[4-(4-methoxyphenyl)thiazol-2-yl]-3-nitro-4-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=CC(=C(C=C3)N4CCCC4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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