N-[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]-4-ethoxy-3-nitro-benzamide

Systemtic Name: N-[3-(1,3-benzoxazol-2-yl)-4-chloranyl-phenyl]-4-ethoxy-3-nitro-benzamide Openeye Name: N-[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]-4-ethoxy-3-nitro-benzamide CAS Name: N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-4-ethoxy-3-nitrobenzamide IUPAC Name: N-[3-(1,3-benzoxazol-2-yl)-4-chlorophenyl]-4-ethoxy-3-nitrobenzamide Traditional Name: N-[3-(1,3-benzoxazol-2-yl)-4-chloro-phenyl]-4-ethoxy-3-nitro-benzamide Formula: C22H16ClN3O5 MolecularWeight: 437.83254

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

Isomeric SMILES

CCOC1=C(C=C(C=C1)C(=O)NC2=CC(=C(C=C2)Cl)C3=NC4=CC=CC=C4O3)[N+](=O)[O-]

InChI

InChI=1S/C22H16ClN3O5/c1-2-30-20-10-7-13(11-18(20)26(28)29)21(27)24-14-8-9-16(23)15(12-14)22-25-17-5-3-4-6-19(17)31-22/h3-12H,2H2,1H3,(H,24,27)