N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide

Systemtic Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide Openeye Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-3-nitro-4-pyrrolidin-1-yl-benzamide CAS Name: N-[2-(2-benzo[e][1,3]benzoxazolyl)phenyl]-3-nitro-4-(1-pyrrolidinyl)benzamide IUPAC Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-3-nitro-4-pyrrolidin-1-ylbenzamide Traditional Name: N-(2-benzo[e][1,3]benzoxazol-2-ylphenyl)-3-nitro-4-pyrrolidino-benzamide Formula: C28H22N4O4 MolecularWeight: 478.49868

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=C(O4)C=CC6=CC=CC=C65)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC=CC=C3C4=NC5=C(O4)C=CC6=CC=CC=C65)[N+](=O)[O-]

InChI

InChI=1S/C28H22N4O4/c33-27(19-11-13-23(24(17-19)32(34)35)31-15-5-6-16-31)29-22-10-4-3-9-21(22)28-30-26-20-8-2-1-7-18(20)12-14-25(26)36-28/h1-4,7-14,17H,5-6,15-16H2,(H,29,33)