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

Systemtic Name: (2-methyl-1,3-thiazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-methylthiazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-methyl-4-thiazolyl)methyl ester IUPAC Name: (2-methyl-1,3-thiazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-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=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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