N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitro-benzamide

Systemtic Name: N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitro-benzamide Openeye Name: N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitro-benzamide CAS Name: N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide IUPAC Name: N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitrobenzamide Traditional Name: N-[2-(4-dimethylaminophenyl)-1,3-benzoxazol-5-yl]-2,4-dinitro-benzamide Formula: C22H17N5O6 MolecularWeight: 447.40028

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C22H17N5O6/c1-25(2)15-6-3-13(4-7-15)22-24-18-11-14(5-10-20(18)33-22)23-21(28)17-9-8-16(26(29)30)12-19(17)27(31)32/h3-12H,1-2H3,(H,23,28)