[2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(cyclohexylamino)-5-oxidanylidene-pentanoate

Systemtic Name: [2-[(5-methoxy-2-nitro-phenyl)amino]-2-oxidanylidene-ethyl] 5-(cyclohexylamino)-5-oxidanylidene-pentanoate Openeye Name: [2-(5-methoxy-2-nitro-anilino)-2-oxo-ethyl] 5-(cyclohexylamino)-5-oxo-pentanoate CAS Name: 5-(cyclohexylamino)-5-oxopentanoic acid [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] ester IUPAC Name: [2-(5-methoxy-2-nitroanilino)-2-oxoethyl] 5-(cyclohexylamino)-5-oxopentanoate Traditional Name: 5-(cyclohexylamino)-5-keto-valeric acid [2-keto-2-(5-methoxy-2-nitro-anilino)ethyl] ester Formula: C20H27N3O7 MolecularWeight: 421.44428

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCC(=O)NC2CCCCC2

Isomeric SMILES

COC1=CC(=C(C=C1)[N+](=O)[O-])NC(=O)COC(=O)CCCC(=O)NC2CCCCC2

InChI

InChI=1S/C20H27N3O7/c1-29-15-10-11-17(23(27)28)16(12-15)22-19(25)13-30-20(26)9-5-8-18(24)21-14-6-3-2-4-7-14/h10-12,14H,2-9,13H2,1H3,(H,21,24)(H,22,25)