4-[(Z)-[4-ethoxycarbonyl-5-[(4-methylphenyl)carbonylamino]-3-oxidanylidene-thiophen-2-ylidene]methyl]-2-nitro-phenolate

Systemtic Name: 4-[(Z)-[4-ethoxycarbonyl-5-[(4-methylphenyl)carbonylamino]-3-oxidanylidene-thiophen-2-ylidene]methyl]-2-nitro-phenolate Openeye Name: 4-[(Z)-[4-ethoxycarbonyl-5-[(4-methylbenzoyl)amino]-3-oxo-2-thienylidene]methyl]-2-nitro-phenolate CAS Name: 4-[(Z)-[4-ethoxycarbonyl-5-[[(4-methylphenyl)-oxomethyl]amino]-3-oxo-2-thiophenylidene]methyl]-2-nitrophenolate IUPAC Name: 4-[(Z)-[4-ethoxycarbonyl-5-[(4-methylbenzoyl)amino]-3-oxothiophen-2-ylidene]methyl]-2-nitrophenolate Traditional Name: 4-[(Z)-[4-carbethoxy-3-keto-5-(p-toluoylamino)-2-thienylidene]methyl]-2-nitro-phenolate Formula: C22H17N2O7S- MolecularWeight: 453.44458

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC(=CC2=CC(=C(C=C2)[O-])[N+](=O)[O-])C1=O)NC(=O)C3=CC=C(C=C3)C

Isomeric SMILES

CCOC(=O)C1=C(S/C(=C\C2=CC(=C(C=C2)[O-])[N+](=O)[O-])/C1=O)NC(=O)C3=CC=C(C=C3)C

InChI

InChI=1S/C22H18N2O7S/c1-3-31-22(28)18-19(26)17(11-13-6-9-16(25)15(10-13)24(29)30)32-21(18)23-20(27)14-7-4-12(2)5-8-14/h4-11,25H,3H2,1-2H3,(H,23,27)/p-1/b17-11-