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

Systemtic Name: [2-oxidanylidene-2-[[2-(phenylmethyl)phenyl]amino]ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-(2-benzylanilino)-2-oxo-ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-oxo-2-[2-(phenylmethyl)anilino]ethyl] ester IUPAC Name: [2-(2-benzylanilino)-2-oxoethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid [2-(2-benzylanilino)-2-keto-ethyl] ester Formula: C22H19N3O5 MolecularWeight: 405.40336

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

Isomeric SMILES

C1=CC=C(C=C1)CC2=CC=CC=C2NC(=O)COC(=O)C3=C(C=C(C=C3)[N+](=O)[O-])N

InChI

InChI=1S/C22H19N3O5/c23-19-13-17(25(28)29)10-11-18(19)22(27)30-14-21(26)24-20-9-5-4-8-16(20)12-15-6-2-1-3-7-15/h1-11,13H,12,14,23H2,(H,24,26)