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

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 3-nitro-4-piperidin-1-yl-benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 3-nitro-4-(1-piperidyl)benzoate CAS Name: 3-nitro-4-(1-piperidinyl)benzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 3-nitro-4-piperidin-1-ylbenzoate Traditional Name: 3-nitro-4-piperidino-benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

Isomeric SMILES

CC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N3CCCCC3)[N+](=O)[O-]

InChI

InChI=1S/C17H19N3O4S/c1-12-18-14(11-25-12)10-24-17(21)13-5-6-15(16(9-13)20(22)23)19-7-3-2-4-8-19/h5-6,9,11H,2-4,7-8,10H2,1H3