[2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate

Systemtic Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxidanylidene-ethyl] 2-(dimethylamino)-5-nitro-benzoate Openeye Name: [2-[(4-ethoxyphenyl)methyl-methyl-amino]-2-oxo-ethyl] 2-(dimethylamino)-5-nitro-benzoate CAS Name: 2-(dimethylamino)-5-nitrobenzoic acid [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] ester IUPAC Name: [2-[(4-ethoxyphenyl)methyl-methylamino]-2-oxoethyl] 2-(dimethylamino)-5-nitrobenzoate Traditional Name: 2-(dimethylamino)-5-nitro-benzoic acid [2-[(4-ethoxybenzyl)-methyl-amino]-2-keto-ethyl] ester Formula: C21H25N3O6 MolecularWeight: 415.4397

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C

Isomeric SMILES

CCOC1=CC=C(C=C1)CN(C)C(=O)COC(=O)C2=C(C=CC(=C2)[N+](=O)[O-])N(C)C

InChI

InChI=1S/C21H25N3O6/c1-5-29-17-9-6-15(7-10-17)13-23(4)20(25)14-30-21(26)18-12-16(24(27)28)8-11-19(18)22(2)3/h6-12H,5,13-14H2,1-4H3