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

Systemtic Name: (3-nitrophenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Openeye Name: (3-nitrophenyl)methyl 2-(allylamino)thiazole-4-carboxylate CAS Name: 2-(prop-2-enylamino)-4-thiazolecarboxylic acid (3-nitrophenyl)methyl ester IUPAC Name: (3-nitrophenyl)methyl 2-(prop-2-enylamino)-1,3-thiazole-4-carboxylate Traditional Name: 2-(allylamino)thiazole-4-carboxylic acid (3-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/c1-2-6-15-14-16-12(9-22-14)13(18)21-8-10-4-3-5-11(7-10)17(19)20/h2-5,7,9H,1,6,8H2,(H,15,16)