2-diethylaminoethyl 4-[[3-(4-nitrophenyl)-3-oxidanylidene-propyl]amino]benzoate

Systemtic Name: 2-diethylaminoethyl 4-[[3-(4-nitrophenyl)-3-oxidanylidene-propyl]amino]benzoate Openeye Name: 2-diethylaminoethyl 4-[[3-(4-nitrophenyl)-3-oxo-propyl]amino]benzoate CAS Name: 4-[[3-(4-nitrophenyl)-3-oxopropyl]amino]benzoic acid 2-diethylaminoethyl ester IUPAC Name: 2-diethylaminoethyl 4-[[3-(4-nitrophenyl)-3-oxopropyl]amino]benzoate Traditional Name: 4-[[3-keto-3-(4-nitrophenyl)propyl]amino]benzoic acid 2-diethylaminoethyl ester Formula: C22H27N3O5 MolecularWeight: 413.46688

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC(=O)C1=CC=C(C=C1)NCCC(=O)C2=CC=C(C=C2)[N+](=O)[O-]

InChI

InChI=1S/C22H27N3O5/c1-3-24(4-2)15-16-30-22(27)18-5-9-19(10-6-18)23-14-13-21(26)17-7-11-20(12-8-17)25(28)29/h5-12,23H,3-4,13-16H2,1-2H3