[2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate

Systemtic Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxidanylidene-ethyl] 2-(diethylamino)-5-nitro-benzoate Openeye Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxo-ethyl] 2-(diethylamino)-5-nitro-benzoate CAS Name: 2-(diethylamino)-5-nitrobenzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] ester IUPAC Name: [2-[4-(3-acetamidopropyl)phenyl]-2-oxoethyl] 2-(diethylamino)-5-nitrobenzoate Traditional Name: 2-(diethylamino)-5-nitro-benzoic acid [2-[4-(3-acetamidopropyl)phenyl]-2-keto-ethyl] ester Formula: C24H29N3O6 MolecularWeight: 455.50356

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C

Isomeric SMILES

CCN(CC)C1=C(C=C(C=C1)[N+](=O)[O-])C(=O)OCC(=O)C2=CC=C(C=C2)CCCNC(=O)C

InChI

InChI=1S/C24H29N3O6/c1-4-26(5-2)22-13-12-20(27(31)32)15-21(22)24(30)33-16-23(29)19-10-8-18(9-11-19)7-6-14-25-17(3)28/h8-13,15H,4-7,14,16H2,1-3H3,(H,25,28)