methyl 2-[(2-methoxy-2-oxidanylidene-ethyl)-(3-nitro-5-octadecoxy-phenyl)amino]ethanoate

Systemtic Name: methyl 2-[(2-methoxy-2-oxidanylidene-ethyl)-(3-nitro-5-octadecoxy-phenyl)amino]ethanoate Openeye Name: methyl 2-(N-(2-methoxy-2-oxo-ethyl)-3-nitro-5-octadecoxy-anilino)acetate CAS Name: 2-(N-(2-methoxy-2-oxoethyl)-3-nitro-5-octadecoxyanilino)acetic acid methyl ester IUPAC Name: methyl 2-(N-(2-methoxy-2-oxoethyl)-3-nitro-5-octadecoxyanilino)acetate Traditional Name: 2-(N-(2-keto-2-methoxy-ethyl)-3-nitro-5-stearyloxy-anilino)acetic acid methyl ester Formula: C30H50N2O7 MolecularWeight: 550.7272

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)[N+](=O)[O-])N(CC(=O)OC)CC(=O)OC

Isomeric SMILES

CCCCCCCCCCCCCCCCCCOC1=CC(=CC(=C1)[N+](=O)[O-])N(CC(=O)OC)CC(=O)OC

InChI

InChI=1S/C30H50N2O7/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-39-28-22-26(21-27(23-28)32(35)36)31(24-29(33)37-2)25-30(34)38-3/h21-23H,4-20,24-25H2,1-3H3