[2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-azanyl-3-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[phenethyl-(phenylmethyl)amino]ethyl] 4-azanyl-3-nitro-benzoate Openeye Name: [2-[benzyl(phenethyl)amino]-2-oxo-ethyl] 4-amino-3-nitro-benzoate CAS Name: 4-amino-3-nitrobenzoic acid [2-oxo-2-[phenethyl-(phenylmethyl)amino]ethyl] ester IUPAC Name: [2-[benzyl(phenethyl)amino]-2-oxoethyl] 4-amino-3-nitrobenzoate Traditional Name: 4-amino-3-nitro-benzoic acid [2-[benzyl(phenethyl)amino]-2-keto-ethyl] ester Formula: C24H23N3O5 MolecularWeight: 433.45652

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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(=C(C=C3)N)[N+](=O)[O-]

Isomeric SMILES

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

InChI

InChI=1S/C24H23N3O5/c25-21-12-11-20(15-22(21)27(30)31)24(29)32-17-23(28)26(16-19-9-5-2-6-10-19)14-13-18-7-3-1-4-8-18/h1-12,15H,13-14,16-17,25H2