[2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 4-nitrobenzoate

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 4-nitrobenzoate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 4-nitrobenzoate CAS Name: 4-nitrobenzoic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 4-nitrobenzoate Traditional Name: 4-nitrobenzoic acid [2-(3,3-diphenylpropylamino)-2-keto-ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

C1=CC=C(C=C1)C(CCNC(=O)COC(=O)C2=CC=C(C=C2)[N+](=O)[O-])C3=CC=CC=C3

InChI

InChI=1S/C24H22N2O5/c27-23(17-31-24(28)20-11-13-21(14-12-20)26(29)30)25-16-15-22(18-7-3-1-4-8-18)19-9-5-2-6-10-19/h1-14,22H,15-17H2,(H,25,27)