(2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate

Systemtic Name: (2-phenylazanyl-1,3-thiazol-4-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-anilinothiazol-4-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-anilino-4-thiazolyl)methyl ester IUPAC Name: (2-anilino-1,3-thiazol-4-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-anilinothiazol-4-yl)methyl ester Formula: C22H22N4O4S MolecularWeight: 438.49948

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(CC1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)NC4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O4S/c27-21(30-14-18-15-31-22(24-18)23-17-7-3-1-4-8-17)16-9-10-19(20(13-16)26(28)29)25-11-5-2-6-12-25/h1,3-4,7-10,13,15H,2,5-6,11-12,14H2,(H,23,24)