6-oxidanylhexyl 4-[(3-nitrophenyl)carbamoyl]benzoate

Systemtic Name: 6-oxidanylhexyl 4-[(3-nitrophenyl)carbamoyl]benzoate Openeye Name: 6-hydroxyhexyl 4-[(3-nitrophenyl)carbamoyl]benzoate CAS Name: 4-[(3-nitroanilino)-oxomethyl]benzoic acid 6-hydroxyhexyl ester IUPAC Name: 6-hydroxyhexyl 4-[(3-nitrophenyl)carbamoyl]benzoate Traditional Name: 4-[(3-nitrophenyl)carbamoyl]benzoic acid 6-hydroxyhexyl ester Formula: C20H22N2O6 MolecularWeight: 386.39848

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C20H22N2O6/c23-12-3-1-2-4-13-28-20(25)16-10-8-15(9-11-16)19(24)21-17-6-5-7-18(14-17)22(26)27/h5-11,14,23H,1-4,12-13H2,(H,21,24)