3-[[3-ethoxycarbonyl-4-(4-nitrophenyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid

Systemtic Name: 3-[[3-ethoxycarbonyl-4-(4-nitrophenyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid Openeye Name: 3-[[3-ethoxycarbonyl-4-(4-nitrophenyl)-2-thienyl]carbamoyl]pyrazine-2-carboxylic acid CAS Name: 3-[[[3-ethoxycarbonyl-4-(4-nitrophenyl)-2-thiophenyl]amino]-oxomethyl]-2-pyrazinecarboxylic acid IUPAC Name: 3-[[3-ethoxycarbonyl-4-(4-nitrophenyl)thiophen-2-yl]carbamoyl]pyrazine-2-carboxylic acid Traditional Name: 3-[[3-carbethoxy-4-(4-nitrophenyl)-2-thienyl]carbamoyl]pyrazinoic acid Formula: C19H14N4O7S MolecularWeight: 442.40206

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=NC=CN=C3C(=O)O

Isomeric SMILES

CCOC(=O)C1=C(SC=C1C2=CC=C(C=C2)[N+](=O)[O-])NC(=O)C3=NC=CN=C3C(=O)O

InChI

InChI=1S/C19H14N4O7S/c1-2-30-19(27)13-12(10-3-5-11(6-4-10)23(28)29)9-31-17(13)22-16(24)14-15(18(25)26)21-8-7-20-14/h3-9H,2H2,1H3,(H,22,24)(H,25,26)