[2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-azanyl-4-nitro-benzoate

Systemtic Name: [2-oxidanylidene-2-[(2,4,6-trimethylphenyl)amino]ethyl] 2-azanyl-4-nitro-benzoate Openeye Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-amino-4-nitro-benzoate CAS Name: 2-amino-4-nitrobenzoic acid [2-oxo-2-(2,4,6-trimethylanilino)ethyl] ester IUPAC Name: [2-oxo-2-(2,4,6-trimethylanilino)ethyl] 2-amino-4-nitrobenzoate Traditional Name: 2-amino-4-nitro-benzoic acid (2-keto-2-mesidino-ethyl) ester Formula: C18H19N3O5 MolecularWeight: 357.36056

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)NC(=O)COC(=O)C2=C(C=C(C=C2)[N+](=O)[O-])N)C

InChI

InChI=1S/C18H19N3O5/c1-10-6-11(2)17(12(3)7-10)20-16(22)9-26-18(23)14-5-4-13(21(24)25)8-15(14)19/h4-8H,9,19H2,1-3H3,(H,20,22)