[2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate

Systemtic Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxidanylidene-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate Openeye Name: [2-[methyl(p-tolylmethyl)amino]-2-oxo-ethyl] 2-(2-methoxyethylamino)-5-nitro-benzoate CAS Name: 2-(2-methoxyethylamino)-5-nitrobenzoic acid [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] ester IUPAC Name: [2-[methyl-[(4-methylphenyl)methyl]amino]-2-oxoethyl] 2-(2-methoxyethylamino)-5-nitrobenzoate Traditional Name: 2-(2-methoxyethylamino)-5-nitro-benzoic acid [2-keto-2-[methyl-(4-methylbenzyl)amino]ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

Isomeric SMILES

CC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])NCCOC

InChI

InChI=1S/C21H25N3O6/c1-15-4-6-16(7-5-15)13-23(2)20(25)14-30-21(26)18-12-17(24(27)28)8-9-19(18)22-10-11-29-3/h4-9,12,22H,10-11,13-14H2,1-3H3