2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-2-(4-nitrophenoxy)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate

Systemtic Name: 2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-2-(4-nitrophenoxy)-3-oxidanylidene-propanoyl]amino]-4-chloranyl-benzoate Openeye Name: 2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-2-(4-nitrophenoxy)-3-oxo-propanoyl]amino]-4-chloro-benzoate CAS Name: 3-[[3-(4-butoxyphenyl)-2-(4-nitrophenoxy)-1,3-dioxopropyl]amino]-4-chlorobenzoic acid 2,4-diethylheptyl ester IUPAC Name: 2,4-diethylheptyl 3-[[3-(4-butoxyphenyl)-2-(4-nitrophenoxy)-3-oxopropanoyl]amino]-4-chlorobenzoate Traditional Name: 3-[[3-(4-butoxyphenyl)-3-keto-2-(4-nitrophenoxy)propanoyl]amino]-4-chloro-benzoic acid 2,4-diethylheptyl ester Formula: C37H45ClN2O8 MolecularWeight: 681.2148

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Descriptors Computed from Structure

Canonical SMILES:

CCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=C(C=CC(=C2)C(=O)OCC(CC)CC(CC)CCC)Cl)OC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CCCCOC1=CC=C(C=C1)C(=O)C(C(=O)NC2=C(C=CC(=C2)C(=O)OCC(CC)CC(CC)CCC)Cl)OC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C37H45ClN2O8/c1-5-9-21-46-30-16-11-27(12-17-30)34(41)35(48-31-18-14-29(15-19-31)40(44)45)36(42)39-33-23-28(13-20-32(33)38)37(43)47-24-26(8-4)22-25(7-3)10-6-2/h11-20,23,25-26,35H,5-10,21-22,24H2,1-4H3,(H,39,42)