[2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-(6-methylheptan-2-ylamino)-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-(1,5-dimethylhexylamino)-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-(6-methylheptan-2-ylamino)-2-oxoethyl] ester IUPAC Name: [2-(6-methylheptan-2-ylamino)-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-(1,5-dimethylhexylamino)-2-keto-ethyl] ester Formula: C20H31N3O6 MolecularWeight: 409.47664

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H31N3O6/c1-14(2)6-5-7-15(3)22-19(24)13-29-20(25)17-12-16(23(26)27)8-9-18(17)21-10-11-28-4/h8-9,12,14-15,21H,5-7,10-11,13H2,1-4H3,(H,22,24)