(2-methyl-1,3-thiazol-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 5-nitro-2-pyrrolidin-1-yl-benzoate CAS Name: 5-nitro-2-(1-pyrrolidinyl)benzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 5-nitro-2-pyrrolidin-1-ylbenzoate Traditional Name: 5-nitro-2-pyrrolidino-benzoic acid (2-methylthiazol-4-yl)methyl ester Formula: C16H17N3O4S MolecularWeight: 347.38888

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Descriptors Computed from Structure

Canonical SMILES:

CC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

Isomeric SMILES

CC1=NC(=CS1)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N3CCCC3

InChI

InChI=1S/C16H17N3O4S/c1-11-17-12(10-24-11)9-23-16(20)14-8-13(19(21)22)4-5-15(14)18-6-2-3-7-18/h4-5,8,10H,2-3,6-7,9H2,1H3