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

Systemtic Name: N-[3-(5-chloranyl-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitro-benzamide Openeye Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitro-benzamide CAS Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide IUPAC Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitrobenzamide Traditional Name: N-[3-(5-chloro-1,3-benzoxazol-2-yl)phenyl]-4-methyl-3-nitro-benzamide Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=C(O3)C=CC(=C4)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H14ClN3O4/c1-12-5-6-13(10-18(12)25(27)28)20(26)23-16-4-2-3-14(9-16)21-24-17-11-15(22)7-8-19(17)29-21/h2-11H,1H3,(H,23,26)