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

Systemtic Name: N-[(E)-[3-methyl-2-(4-phenylpiperazin-1-yl)carbonyl-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-nitro-benzamide Openeye Name: N-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-nitro-benzamide CAS Name: N-[(E)-[3-methyl-2-[oxo-(4-phenyl-1-piperazinyl)methyl]-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-nitrobenzamide IUPAC Name: N-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-1-benzofuran-4-ylidene]amino]-4-nitrobenzamide Traditional Name: N-[(E)-[3-methyl-2-(4-phenylpiperazine-1-carbonyl)-6,7-dihydro-5H-benzofuran-4-ylidene]amino]-4-nitro-benzamide Formula: C27H27N5O5 MolecularWeight: 501.53378

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C27H27N5O5/c1-18-24-22(28-29-26(33)19-10-12-21(13-11-19)32(35)36)8-5-9-23(24)37-25(18)27(34)31-16-14-30(15-17-31)20-6-3-2-4-7-20/h2-4,6-7,10-13H,5,8-9,14-17H2,1H3,(H,29,33)/b28-22+