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

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-yl-benzoate CAS Name: 3-nitro-4-(1-pyrrolidinyl)benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 3-nitro-4-pyrrolidin-1-ylbenzoate Traditional Name: 3-nitro-4-pyrrolidino-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C21H19N3O4S MolecularWeight: 409.45826

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Descriptors Computed from Structure

Canonical SMILES:

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1CCN(C1)C2=C(C=C(C=C2)C(=O)OCC3=CSC(=N3)C4=CC=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C21H19N3O4S/c25-21(28-13-17-14-29-20(22-17)15-6-2-1-3-7-15)16-8-9-18(19(12-16)24(26)27)23-10-4-5-11-23/h1-3,6-9,12,14H,4-5,10-11,13H2