N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]-4-methoxy-3-nitro-benzamide

Systemtic Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]-4-methoxy-3-nitro-benzamide Openeye Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]-4-methoxy-3-nitro-benzamide CAS Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxy-3-nitrobenzamide IUPAC Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methylbutyl]-4-methoxy-3-nitrobenzamide Traditional Name: N-[(1R)-1-(1,3-benzoxazol-2-yl)-3-methyl-butyl]-4-methoxy-3-nitro-benzamide Formula: C20H21N3O5 MolecularWeight: 383.39784

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)CC(C1=NC2=CC=CC=C2O1)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC(C)C[C@H](C1=NC2=CC=CC=C2O1)NC(=O)C3=CC(=C(C=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H21N3O5/c1-12(2)10-15(20-22-14-6-4-5-7-17(14)28-20)21-19(24)13-8-9-18(27-3)16(11-13)23(25)26/h4-9,11-12,15H,10H2,1-3H3,(H,21,24)/t15-/m1/s1