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

Systemtic Name: 6-oxidanylhexyl 3-[(3-nitrophenyl)carbamoyl]benzoate Openeye Name: 6-hydroxyhexyl 3-[(3-nitrophenyl)carbamoyl]benzoate CAS Name: 3-[(3-nitroanilino)-oxomethyl]benzoic acid 6-hydroxyhexyl ester IUPAC Name: 6-hydroxyhexyl 3-[(3-nitrophenyl)carbamoyl]benzoate Traditional Name: 3-[(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)C(=O)OCCCCCCO)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)C(=O)OCCCCCCO)C(=O)NC2=CC(=CC=C2)[N+](=O)[O-]

InChI

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