4-[(4-ethyl-3-oxidanyl-phenyl)amino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid

Systemtic Name: 4-[(4-ethyl-3-oxidanyl-phenyl)amino]-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid Openeye Name: 4-(4-ethyl-3-hydroxy-anilino)-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid CAS Name: 4-(4-ethyl-3-hydroxyanilino)-5-methyl-6-pyrrolo[2,1-f][1,2,4]triazinecarboxylic acid IUPAC Name: 4-(4-ethyl-3-hydroxyanilino)-5-methylpyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid Traditional Name: 4-(4-ethyl-3-hydroxy-anilino)-5-methyl-pyrrolo[2,1-f][1,2,4]triazine-6-carboxylic acid Formula: C16H16N4O3 MolecularWeight: 312.32324

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=C(C=C(C=C1)NC2=NC=NN3C2=C(C(=C3)C(=O)O)C)O

Isomeric SMILES

CCC1=C(C=C(C=C1)NC2=NC=NN3C2=C(C(=C3)C(=O)O)C)O

InChI

InChI=1S/C16H16N4O3/c1-3-10-4-5-11(6-13(10)21)19-15-14-9(2)12(16(22)23)7-20(14)18-8-17-15/h4-8,21H,3H2,1-2H3,(H,22,23)(H,17,18,19)