[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-nitrobenzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 3-nitrobenzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 3-nitrobenzoate CAS Name: 3-nitrobenzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 3-nitrobenzoate Traditional Name: 3-nitrobenzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C24H22N2O5 MolecularWeight: 418.44188

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)CCN(CC2=CC=CC=C2)C(=O)COC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

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