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

Systemtic Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-ethylthiazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-ethyl-4-thiazolyl)methyl ester IUPAC Name: (2-ethyl-1,3-thiazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-ethylthiazol-4-yl)methyl ester Formula: C17H19N3O4S MolecularWeight: 361.41546

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

Isomeric SMILES

CCC1=NC(=CS1)COC(=O)C2=CC(=C(C=C2)N3CCCC3)[N+](=O)[O-]

InChI

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