N-[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide

Systemtic Name: N-[4-chloranyl-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide Openeye Name: N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide CAS Name: N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide IUPAC Name: N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitrobenzamide Traditional Name: N-[4-chloro-3-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-2-nitro-benzamide Formula: C21H14ClN3O4 MolecularWeight: 407.80656

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C(O2)C3=C(C=CC(=C3)NC(=O)C4=CC=CC=C4[N+](=O)[O-])Cl

InChI

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