(2-phenyl-1,3-thiazol-4-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate

Systemtic Name: (2-phenyl-1,3-thiazol-4-yl)methyl 5-nitro-2-[(phenylmethyl)amino]benzoate Openeye Name: (2-phenylthiazol-4-yl)methyl 2-(benzylamino)-5-nitro-benzoate CAS Name: 5-nitro-2-[(phenylmethyl)amino]benzoic acid (2-phenyl-4-thiazolyl)methyl ester IUPAC Name: (2-phenyl-1,3-thiazol-4-yl)methyl 2-(benzylamino)-5-nitrobenzoate Traditional Name: 2-(benzylamino)-5-nitro-benzoic acid (2-phenylthiazol-4-yl)methyl ester Formula: C24H19N3O4S MolecularWeight: 445.49036

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

Isomeric SMILES

C1=CC=C(C=C1)CNC2=C(C=C(C=C2)[N+](=O)[O-])C(=O)OCC3=CSC(=N3)C4=CC=CC=C4

InChI

InChI=1S/C24H19N3O4S/c28-24(31-15-19-16-32-23(26-19)18-9-5-2-6-10-18)21-13-20(27(29)30)11-12-22(21)25-14-17-7-3-1-4-8-17/h1-13,16,25H,14-15H2