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

Systemtic Name: propyl 4-[2-[2-[(3,5-dinitrophenyl)carbonylcarbamothioyl]hydrazinyl]-2-oxidanylidene-ethoxy]benzoate Openeye Name: propyl 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 propyl ester IUPAC Name: propyl 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 propyl ester Formula: C20H19N5O9S MolecularWeight: 505.45796

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

CCCOC(=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/C20H19N5O9S/c1-2-7-33-19(28)12-3-5-16(6-4-12)34-11-17(26)22-23-20(35)21-18(27)13-8-14(24(29)30)10-15(9-13)25(31)32/h3-6,8-10H,2,7,11H2,1H3,(H,22,26)(H2,21,23,27,35)