2-dimethylaminoethyl 4-[butyl-(4-nitrophenyl)carbonyl-amino]benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[butyl-(4-nitrophenyl)carbonyl-amino]benzoate Openeye Name: 2-dimethylaminoethyl 4-[butyl-(4-nitrobenzoyl)amino]benzoate CAS Name: 4-[butyl-[(4-nitrophenyl)-oxomethyl]amino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[butyl-(4-nitrobenzoyl)amino]benzoate Traditional Name: 4-[butyl-(4-nitrobenzoyl)amino]benzoic acid 2-dimethylaminoethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN(C1=CC=C(C=C1)C(=O)OCCN(C)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCCCN(C1=CC=C(C=C1)C(=O)OCCN(C)C)C(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-4-5-14-24(21(26)17-6-12-20(13-7-17)25(28)29)19-10-8-18(9-11-19)22(27)30-16-15-23(2)3/h6-13H,4-5,14-16H2,1-3H3