ethyl 4-[2-[2-[(3,5-dinitrophenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate

Systemtic Name: ethyl 4-[2-[2-[(3,5-dinitrophenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: ethyl 4-[2-[2-[(3,5-dinitrobenzoyl)carbamothioyl]hydrazino]-2-oxo-ethoxy]benzoate CAS Name: 4-[2-[[[[(3,5-dinitrophenyl)-oxomethyl]amino]-sulfanylidenemethyl]hydrazo]-2-oxoethoxy]benzoic acid ethyl ester IUPAC Name: ethyl 4-[2-[2-[(3,5-dinitrobenzoyl)carbamothioyl]hydrazinyl]-2-oxoethoxy]benzoate Traditional Name: 4-[2-[N'-[(3,5-dinitrobenzoyl)thiocarbamoyl]hydrazino]-2-keto-ethoxy]benzoic acid ethyl ester Formula: C19H17N5O9S MolecularWeight: 491.43138

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)OCC(=O)NNC(=S)NC(=O)C2=CC(=CC(=C2)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C19H17N5O9S/c1-2-32-18(27)11-3-5-15(6-4-11)33-10-16(25)21-22-19(34)20-17(26)12-7-13(23(28)29)9-14(8-12)24(30)31/h3-9H,2,10H2,1H3,(H,21,25)(H2,20,22,26,34)