[2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate

Systemtic Name: [2-[[2-[(2-methylphenyl)amino]-2-oxidanylidene-ethyl]-propyl-amino]-2-oxidanylidene-ethyl] 3-methyl-4-nitro-benzoate Openeye Name: [2-[[2-(2-methylanilino)-2-oxo-ethyl]-propyl-amino]-2-oxo-ethyl] 3-methyl-4-nitro-benzoate CAS Name: 3-methyl-4-nitrobenzoic acid [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] ester IUPAC Name: [2-[[2-(2-methylanilino)-2-oxoethyl]-propylamino]-2-oxoethyl] 3-methyl-4-nitrobenzoate Traditional Name: 3-methyl-4-nitro-benzoic acid [2-keto-2-[[2-keto-2-(o-toluidino)ethyl]-propyl-amino]ethyl] ester Formula: C22H25N3O6 MolecularWeight: 427.4504

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Descriptors Computed from Structure

Canonical SMILES:

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

Isomeric SMILES

CCCN(CC(=O)NC1=CC=CC=C1C)C(=O)COC(=O)C2=CC(=C(C=C2)[N+](=O)[O-])C

InChI

InChI=1S/C22H25N3O6/c1-4-11-24(13-20(26)23-18-8-6-5-7-15(18)2)21(27)14-31-22(28)17-9-10-19(25(29)30)16(3)12-17/h5-10,12H,4,11,13-14H2,1-3H3,(H,23,26)