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

Systemtic Name: N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide Openeye Name: N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide CAS Name: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide IUPAC Name: N-[5-(1,3-benzoxazol-2-yl)-2-methylphenyl]-3-nitrobenzamide Traditional Name: N-[5-(1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide Formula: C21H15N3O4 MolecularWeight: 373.3615

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=CC=CC=C3O2)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H15N3O4/c1-13-9-10-15(21-23-17-7-2-3-8-19(17)28-21)12-18(13)22-20(25)14-5-4-6-16(11-14)24(26)27/h2-12H,1H3,(H,22,25)