N-[(E)-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-nitro-benzamide

Systemtic Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinolin-2-ylcarbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-nitro-benzamide Openeye Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-nitro-benzamide CAS Name: N-[(E)-[2-[3,4-dihydro-1H-isoquinolin-2-yl(oxo)methyl]-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-nitrobenzamide IUPAC Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-nitrobenzamide Traditional Name: N-[(E)-[2-(3,4-dihydro-1H-isoquinoline-2-carbonyl)-3-methyl-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-nitro-benzamide Formula: C26H24N4O5 MolecularWeight: 472.49256

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-])CCC2)C(=O)N4CCC5=CC=CC=C5C4

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=CC=C3)[N+](=O)[O-])/CCC2)C(=O)N4CCC5=CC=CC=C5C4

InChI

InChI=1S/C26H24N4O5/c1-16-23-21(27-28-25(31)18-8-4-9-20(14-18)30(33)34)10-5-11-22(23)35-24(16)26(32)29-13-12-17-6-2-3-7-19(17)15-29/h2-4,6-9,14H,5,10-13,15H2,1H3,(H,28,31)/b27-21+