(3-morpholin-4-ylsulfonylphenyl)methyl 2-azanyl-5-nitro-benzoate

Systemtic Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-azanyl-5-nitro-benzoate Openeye Name: (3-morpholinosulfonylphenyl)methyl 2-amino-5-nitro-benzoate CAS Name: 2-amino-5-nitrobenzoic acid [3-(4-morpholinylsulfonyl)phenyl]methyl ester IUPAC Name: (3-morpholin-4-ylsulfonylphenyl)methyl 2-amino-5-nitrobenzoate Traditional Name: 2-amino-5-nitro-benzoic acid (3-morpholinosulfonylbenzyl) ester Formula: C18H19N3O7S MolecularWeight: 421.42436

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

Isomeric SMILES

C1COCCN1S(=O)(=O)C2=CC=CC(=C2)COC(=O)C3=C(C=CC(=C3)[N+](=O)[O-])N

InChI

InChI=1S/C18H19N3O7S/c19-17-5-4-14(21(23)24)11-16(17)18(22)28-12-13-2-1-3-15(10-13)29(25,26)20-6-8-27-9-7-20/h1-5,10-11H,6-9,12,19H2