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

Systemtic Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: 3-nitro-4-pyrrolidin-1-yl-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide CAS Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-[4-(5-butan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: 3-nitro-4-pyrrolidino-N-[4-(5-sec-butyl-1,3-benzoxazol-2-yl)phenyl]benzamide Formula: C28H28N4O4 MolecularWeight: 484.54632

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Descriptors Computed from Structure

Canonical SMILES:

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

Isomeric SMILES

CCC(C)C1=CC2=C(C=C1)OC(=N2)C3=CC=C(C=C3)NC(=O)C4=CC(=C(C=C4)N5CCCC5)[N+](=O)[O-]

InChI

InChI=1S/C28H28N4O4/c1-3-18(2)20-9-13-26-23(16-20)30-28(36-26)19-6-10-22(11-7-19)29-27(33)21-8-12-24(25(17-21)32(34)35)31-14-4-5-15-31/h6-13,16-18H,3-5,14-15H2,1-2H3,(H,29,33)