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

Systemtic Name: N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitro-benzamide Openeye Name: N-[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide CAS Name: N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide IUPAC Name: N-[2-methyl-5-(5-propan-2-yl-1,3-benzoxazol-2-yl)phenyl]-3-nitrobenzamide Traditional Name: N-[5-(5-isopropyl-1,3-benzoxazol-2-yl)-2-methyl-phenyl]-3-nitro-benzamide Formula: C24H21N3O4 MolecularWeight: 415.44124

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C=C(C=C1)C2=NC3=C(O2)C=CC(=C3)C(C)C)NC(=O)C4=CC(=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C24H21N3O4/c1-14(2)16-9-10-22-21(12-16)26-24(31-22)18-8-7-15(3)20(13-18)25-23(28)17-5-4-6-19(11-17)27(29)30/h4-14H,1-3H3,(H,25,28)