N-[3-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]phenyl]-3-methyl-4-nitro-benzamide

Systemtic Name: N-[3-[5,7-bis(chloranyl)-1,3-benzoxazol-2-yl]phenyl]-3-methyl-4-nitro-benzamide Openeye Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitro-benzamide CAS Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide IUPAC Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitrobenzamide Traditional Name: N-[3-(5,7-dichloro-1,3-benzoxazol-2-yl)phenyl]-3-methyl-4-nitro-benzamide Formula: C21H13Cl2N3O4 MolecularWeight: 442.25162

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC(=CC(=C4O3)Cl)Cl)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=CC(=C1)C(=O)NC2=CC=CC(=C2)C3=NC4=CC(=CC(=C4O3)Cl)Cl)[N+](=O)[O-]

InChI

InChI=1S/C21H13Cl2N3O4/c1-11-7-12(5-6-18(11)26(28)29)20(27)24-15-4-2-3-13(8-15)21-25-17-10-14(22)9-16(23)19(17)30-21/h2-10H,1H3,(H,24,27)