N-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-prop-2-enoxy-phenyl]methyl]-N-(4-methoxyphenyl)-4-nitro-benzamide

Systemtic Name: N-[[4-(5-azanyl-5-oxidanylidene-pentoxy)-2-prop-2-enoxy-phenyl]methyl]-N-(4-methoxyphenyl)-4-nitro-benzamide Openeye Name: N-[[2-allyloxy-4-(5-amino-5-oxo-pentoxy)phenyl]methyl]-N-(4-methoxyphenyl)-4-nitro-benzamide CAS Name: N-[[4-(5-amino-5-oxopentoxy)-2-prop-2-enoxyphenyl]methyl]-N-(4-methoxyphenyl)-4-nitrobenzamide IUPAC Name: N-[[4-(5-amino-5-oxopentoxy)-2-prop-2-enoxyphenyl]methyl]-N-(4-methoxyphenyl)-4-nitrobenzamide Traditional Name: N-[2-allyloxy-4-(5-amino-5-keto-pentoxy)benzyl]-N-(4-methoxyphenyl)-4-nitro-benzamide Formula: C29H31N3O7 MolecularWeight: 533.57234

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=C(C=C1)N(CC2=C(C=C(C=C2)OCCCCC(=O)N)OCC=C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

COC1=CC=C(C=C1)N(CC2=C(C=C(C=C2)OCCCCC(=O)N)OCC=C)C(=O)C3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C29H31N3O7/c1-3-17-39-27-19-26(38-18-5-4-6-28(30)33)14-9-22(27)20-31(23-12-15-25(37-2)16-13-23)29(34)21-7-10-24(11-8-21)32(35)36/h3,7-16,19H,1,4-6,17-18,20H2,2H3,(H2,30,33)