[2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dinitrophenyl)ethanoate

Systemtic Name: [2-[(5-bromanyl-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(2,4-dinitrophenyl)ethanoate Openeye Name: [2-[(5-bromothiazol-2-yl)amino]-2-oxo-ethyl] 2-(2,4-dinitrophenyl)acetate CAS Name: 2-(2,4-dinitrophenyl)acetic acid [2-[(5-bromo-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-bromo-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(2,4-dinitrophenyl)acetate Traditional Name: 2-(2,4-dinitrophenyl)acetic acid [2-[(5-bromothiazol-2-yl)amino]-2-keto-ethyl] ester Formula: C13H9BrN4O7S MolecularWeight: 445.20216

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=O)OCC(=O)NC2=NC=C(S2)Br

Isomeric SMILES

C1=CC(=C(C=C1[N+](=O)[O-])[N+](=O)[O-])CC(=O)OCC(=O)NC2=NC=C(S2)Br

InChI

InChI=1S/C13H9BrN4O7S/c14-10-5-15-13(26-10)16-11(19)6-25-12(20)3-7-1-2-8(17(21)22)4-9(7)18(23)24/h1-2,4-5H,3,6H2,(H,15,16,19)