N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-[2-(3-bromanyl-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[2-(3-bromo-4-methoxyphenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-[2-(3-bromo-4-methoxy-phenyl)-1,3-benzoxazol-5-yl]-3-nitro-4-pyrrolidino-benzamide Formula: C25H21BrN4O5 MolecularWeight: 537.36204

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])Br

Isomeric SMILES

COC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-])Br

InChI

InChI=1S/C25H21BrN4O5/c1-34-22-8-5-16(12-18(22)26)25-28-19-14-17(6-9-23(19)35-25)27-24(31)15-4-7-20(21(13-15)30(32)33)29-10-2-3-11-29/h4-9,12-14H,2-3,10-11H2,1H3,(H,27,31)