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

Systemtic Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxidanylidene-ethyl] 2-(4-nitrophenyl)ethanoate Openeye Name: [2-[(5-nitrothiazol-2-yl)amino]-2-oxo-ethyl] 2-(4-nitrophenyl)acetate CAS Name: 2-(4-nitrophenyl)acetic acid [2-[(5-nitro-2-thiazolyl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(5-nitro-1,3-thiazol-2-yl)amino]-2-oxoethyl] 2-(4-nitrophenyl)acetate Traditional Name: 2-(4-nitrophenyl)acetic acid [2-keto-2-[(5-nitrothiazol-2-yl)amino]ethyl] ester Formula: C13H10N4O7S MolecularWeight: 366.3061

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1CC(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1CC(=O)OCC(=O)NC2=NC=C(S2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C13H10N4O7S/c18-10(15-13-14-6-11(25-13)17(22)23)7-24-12(19)5-8-1-3-9(4-2-8)16(20)21/h1-4,6H,5,7H2,(H,14,15,18)