(2-nitrophenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate

Systemtic Name: (2-nitrophenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (2-nitrophenyl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (2-nitrophenyl)methyl ester IUPAC Name: (2-nitrophenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (2-nitrobenzyl) ester Formula: C14H13N3O4S MolecularWeight: 319.33572

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Descriptors Computed from Structure

Canonical SMILES:

C=CCNC1=NC(=CS1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

Isomeric SMILES

C=CCNC1=NC(=CS1)C(=O)OCC2=CC=CC=C2[N+](=O)[O-]

InChI

InChI=1S/C14H13N3O4S/c1-2-7-15-14-16-11(9-22-14)13(18)21-8-10-5-3-4-6-12(10)17(19)20/h2-6,9H,1,7-8H2,(H,15,16)