methyl 8-[(2-nitro-5-phenyl-phenyl)amino]-8-oxidanylidene-octanoate

Systemtic Name: methyl 8-[(2-nitro-5-phenyl-phenyl)amino]-8-oxidanylidene-octanoate Openeye Name: methyl 8-(2-nitro-5-phenyl-anilino)-8-oxo-octanoate CAS Name: 8-(2-nitro-5-phenylanilino)-8-oxooctanoic acid methyl ester IUPAC Name: methyl 8-(2-nitro-5-phenylanilino)-8-oxooctanoate Traditional Name: 8-keto-8-(2-nitro-5-phenyl-anilino)caprylic acid methyl ester Formula: C21H24N2O5 MolecularWeight: 384.42566

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)CCCCCCC(=O)NC1=C(C=CC(=C1)C2=CC=CC=C2)[N+](=O)[O-]

Isomeric SMILES

COC(=O)CCCCCCC(=O)NC1=C(C=CC(=C1)C2=CC=CC=C2)[N+](=O)[O-]

InChI

InChI=1S/C21H24N2O5/c1-28-21(25)12-8-3-2-7-11-20(24)22-18-15-17(13-14-19(18)23(26)27)16-9-5-4-6-10-16/h4-6,9-10,13-15H,2-3,7-8,11-12H2,1H3,(H,22,24)