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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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