4-chloranyl-N-[(E)-[3-methyl-2-(4-phenylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-nitro-benzamide

Systemtic Name: 4-chloranyl-N-[(E)-[3-methyl-2-(4-phenylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-nitro-benzamide Openeye Name: 4-chloro-N-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-nitro-benzamide CAS Name: 4-chloro-N-[(E)-[3-methyl-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-nitrobenzamide IUPAC Name: 4-chloro-N-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-3-nitrobenzamide Traditional Name: 4-chloro-N-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-3-nitro-benzamide Formula: C27H26ClN5O5 MolecularWeight: 535.97884

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(OC2=C1C(=NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])CCC2)C(=O)N4CCN(CC4)C5=CC=CC=C5

Isomeric SMILES

CC1=C(OC2=C1/C(=N/NC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])/CCC2)C(=O)N4CCN(CC4)C5=CC=CC=C5

InChI

InChI=1S/C27H26ClN5O5/c1-17-24-21(29-30-26(34)18-10-11-20(28)22(16-18)33(36)37)8-5-9-23(24)38-25(17)27(35)32-14-12-31(13-15-32)19-6-3-2-4-7-19/h2-4,6-7,10-11,16H,5,8-9,12-15H2,1H3,(H,30,34)/b29-21+