methyl 2-({13-nitro-2-oxa-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-yl}sulfonyl)benzoate

CAS: 866157-21-3

Formula: C21H16N2O7S

SMILES: COC(=O)C1=C(C=CC=C1)S(=O)(=O)N1CC2=C(OC3=C1C=CC=C3)C=CC(=C2)[N+]([O-])=O

IUPAC: methyl 2-({13-nitro-2-oxa-9-azatricyclo[9.4.0.0³,?]pentadeca-1(11),3(8),4,6,12,14-hexaen-9-yl}sulfonyl)benzoate

InChI: InChI=1S/C21H16N2O7S/c1-29-21(24)16-6-2-5-9-20(16)31(27,28)22-13-14-12-15(23(25)26)10-11-18(14)30-19-8-4-3-7-17(19)22/h2-12H,13H2,1H3

Composition: C (57.27%), H (3.66%), N (6.36%), O (25.43%), S (7.28%)

Molar Mass: 440.43

Atom Count: 47

Heavy Atom Count: 31