N-(2-methyl-1,3-benzoxazol-5-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide

Systemtic Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitro-benzamide Openeye Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-[(3S)-3-methyl-1-piperidyl]-3-nitro-benzamide CAS Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-[(3S)-3-methyl-1-piperidinyl]-3-nitrobenzamide IUPAC Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-[(3S)-3-methylpiperidin-1-yl]-3-nitrobenzamide Traditional Name: N-(2-methyl-1,3-benzoxazol-5-yl)-4-[(3S)-3-methylpiperidino]-3-nitro-benzamide Formula: C21H22N4O4 MolecularWeight: 394.42378

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Descriptors Computed from Structure

Canonical SMILES:

CC1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C)[N+](=O)[O-]

Isomeric SMILES

C[C@H]1CCCN(C1)C2=C(C=C(C=C2)C(=O)NC3=CC4=C(C=C3)OC(=N4)C)[N+](=O)[O-]

InChI

InChI=1S/C21H22N4O4/c1-13-4-3-9-24(12-13)18-7-5-15(10-19(18)25(27)28)21(26)23-16-6-8-20-17(11-16)22-14(2)29-20/h5-8,10-11,13H,3-4,9,12H2,1-2H3,(H,23,26)/t13-/m0/s1