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

Systemtic Name: [2-(3,3-diphenylpropylamino)-2-oxidanylidene-ethyl] 3-nitrobenzoate Openeye Name: [2-(3,3-diphenylpropylamino)-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-(3,3-diphenylpropylamino)-2-oxoethyl] ester IUPAC Name: [2-(3,3-diphenylpropylamino)-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-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(=CC=C2)[N+](=O)[O-])C3=CC=CC=C3

Isomeric SMILES

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

InChI

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