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

Systemtic Name: methyl 2-[(2-methoxy-2-oxidanylidene-ethyl)-(3-nitro-5-octadecoxy-phenyl)carbonyl-amino]ethanoate Openeye Name: methyl 2-[(2-methoxy-2-oxo-ethyl)-(3-nitro-5-octadecoxy-benzoyl)amino]acetate CAS Name: 2-[(2-methoxy-2-oxoethyl)-[(3-nitro-5-octadecoxyphenyl)-oxomethyl]amino]acetic acid methyl ester IUPAC Name: methyl 2-[(2-methoxy-2-oxoethyl)-(3-nitro-5-octadecoxybenzoyl)amino]acetate Traditional Name: 2-[(2-keto-2-methoxy-ethyl)-(3-nitro-5-stearyloxy-benzoyl)amino]acetic acid methyl ester Formula: C31H50N2O8 MolecularWeight: 578.7373

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C31H50N2O8/c1-4-5-6-7-8-9-10-11-12-13-14-15-16-17-18-19-20-41-28-22-26(21-27(23-28)33(37)38)31(36)32(24-29(34)39-2)25-30(35)40-3/h21-23H,4-20,24-25H2,1-3H3