2-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-nitro-phenolate

Systemtic Name: 2-[(3-ethoxyphenyl)carbonylcarbamothioylamino]-4-nitro-phenolate Openeye Name: 2-[(3-ethoxybenzoyl)carbamothioylamino]-4-nitro-phenolate CAS Name: 2-[[[[(3-ethoxyphenyl)-oxomethyl]amino]-sulfanylidenemethyl]amino]-4-nitrophenolate IUPAC Name: 2-[(3-ethoxybenzoyl)carbamothioylamino]-4-nitrophenolate Traditional Name: 2-[(3-ethoxybenzoyl)thiocarbamoylamino]-4-nitro-phenolate Formula: C16H14N3O5S- MolecularWeight: 360.36446

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

Isomeric SMILES

CCOC1=CC=CC(=C1)C(=O)NC(=S)NC2=C(C=CC(=C2)[N+](=O)[O-])[O-]

InChI

InChI=1S/C16H15N3O5S/c1-2-24-12-5-3-4-10(8-12)15(21)18-16(25)17-13-9-11(19(22)23)6-7-14(13)20/h3-9,20H,2H2,1H3,(H2,17,18,21,25)/p-1