5-[(2Z)-2-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)hydrazinyl]benzene-1,3-dicarboxylic acid

Systemtic Name: 5-[(2Z)-2-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)hydrazinyl]benzene-1,3-dicarboxylic acid Openeye Name: 5-[(2Z)-2-(4-ethoxycarbonyl-3,5-dimethyl-pyrrol-2-ylidene)hydrazino]benzene-1,3-dicarboxylic acid CAS Name: 5-[(2Z)-2-(4-ethoxycarbonyl-3,5-dimethyl-2-pyrrolylidene)hydrazinyl]benzene-1,3-dicarboxylic acid IUPAC Name: 5-[(2Z)-2-(4-ethoxycarbonyl-3,5-dimethylpyrrol-2-ylidene)hydrazinyl]benzene-1,3-dicarboxylic acid Traditional Name: 5-[(N'Z)-N'-(4-carbethoxy-3,5-dimethyl-pyrrol-2-ylidene)hydrazino]isophthalic acid Formula: C17H17N3O6 MolecularWeight: 359.33338

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(C(=NNC2=CC(=CC(=C2)C(=O)O)C(=O)O)N=C1C)C

Isomeric SMILES

CCOC(=O)C1=C(/C(=N/NC2=CC(=CC(=C2)C(=O)O)C(=O)O)/N=C1C)C

InChI

InChI=1S/C17H17N3O6/c1-4-26-17(25)13-8(2)14(18-9(13)3)20-19-12-6-10(15(21)22)5-11(7-12)16(23)24/h5-7,19H,4H2,1-3H3,(H,21,22)(H,23,24)/b20-14-