2-dimethylaminoethyl 4-[butyl-(3-nitrophenyl)carbonyl-amino]benzoate

Systemtic Name: 2-dimethylaminoethyl 4-[butyl-(3-nitrophenyl)carbonyl-amino]benzoate Openeye Name: 2-dimethylaminoethyl 4-[butyl-(3-nitrobenzoyl)amino]benzoate CAS Name: 4-[butyl-[(3-nitrophenyl)-oxomethyl]amino]benzoic acid 2-dimethylaminoethyl ester IUPAC Name: 2-dimethylaminoethyl 4-[butyl-(3-nitrobenzoyl)amino]benzoate Traditional Name: 4-[butyl-(3-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(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

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

InChI

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