3-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]-7-methyl-1-benzofuran-5-ol

Systemtic Name: 3-[(E)-N-[(2,4-dinitrophenyl)amino]-C-methyl-carbonimidoyl]-7-methyl-1-benzofuran-5-ol Openeye Name: 3-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-7-methyl-benzofuran-5-ol CAS Name: 3-[(1E)-1-[(2,4-dinitrophenyl)hydrazinylidene]ethyl]-7-methyl-5-benzofuranol IUPAC Name: 3-[(E)-N-(2,4-dinitroanilino)-C-methylcarbonimidoyl]-7-methyl-1-benzofuran-5-ol Traditional Name: 3-[(E)-N-(2,4-dinitroanilino)-C-methyl-carbonimidoyl]-7-methyl-benzofuran-5-ol Formula: C17H14N4O6 MolecularWeight: 370.31626

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1)O)C(=CO2)C(=NNC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])C

Isomeric SMILES

CC1=C2C(=CC(=C1)O)C(=CO2)/C(=N/NC3=C(C=C(C=C3)[N+](=O)[O-])[N+](=O)[O-])/C

InChI

InChI=1S/C17H14N4O6/c1-9-5-12(22)7-13-14(8-27-17(9)13)10(2)18-19-15-4-3-11(20(23)24)6-16(15)21(25)26/h3-8,19,22H,1-2H3/b18-10+