[4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 2-chloranyl-5-nitro-benzoate

Systemtic Name: [4-oxidanylidene-4-[(2,4,6-trimethylphenyl)amino]butyl] 2-chloranyl-5-nitro-benzoate Openeye Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 2-chloro-5-nitro-benzoate CAS Name: 2-chloro-5-nitrobenzoic acid [4-oxo-4-(2,4,6-trimethylanilino)butyl] ester IUPAC Name: [4-oxo-4-(2,4,6-trimethylanilino)butyl] 2-chloro-5-nitrobenzoate Traditional Name: 2-chloro-5-nitro-benzoic acid (4-keto-4-mesidino-butyl) ester Formula: C20H21ClN2O5 MolecularWeight: 404.84414

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H21ClN2O5/c1-12-9-13(2)19(14(3)10-12)22-18(24)5-4-8-28-20(25)16-11-15(23(26)27)6-7-17(16)21/h6-7,9-11H,4-5,8H2,1-3H3,(H,22,24)