N-[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide

Systemtic Name: N-[2-chloranyl-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide CAS Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[2-chloro-5-(6-methyl-1,3-benzoxazol-2-yl)phenyl]-3-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=CC(=C(C=C3)Cl)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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