8-methoxy-3',3'-dimethyl-1'-(3-methylbutyl)-5,5',6-trinitro-spiro[chromene-2,2'-indole]

Systemtic Name: 8-methoxy-3',3'-dimethyl-1'-(3-methylbutyl)-5,5',6-trinitro-spiro[chromene-2,2'-indole] Openeye Name: 1'-isopentyl-8-methoxy-3',3'-dimethyl-5,5',6-trinitro-spiro[chromene-2,2'-indoline] CAS Name: 8-methoxy-3',3'-dimethyl-1'-(3-methylbutyl)-5,5',6-trinitrospiro[1-benzopyran-2,2'-indole] IUPAC Name: 8-methoxy-3',3'-dimethyl-1'-(3-methylbutyl)-5,5',6-trinitrospiro[chromene-2,2'-indole] Traditional Name: 1'-isoamyl-8-methoxy-3',3'-dimethyl-5,5',6-trinitro-spiro[chromene-2,2'-indoline] Formula: C24H26N4O8 MolecularWeight: 498.48524

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(C)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(C13C=CC4=C(C(=CC(=C4O3)OC)[N+](=O)[O-])[N+](=O)[O-])(C)C

Isomeric SMILES

CC(C)CCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(C13C=CC4=C(C(=CC(=C4O3)OC)[N+](=O)[O-])[N+](=O)[O-])(C)C

InChI

InChI=1S/C24H26N4O8/c1-14(2)9-11-25-18-7-6-15(26(29)30)12-17(18)23(3,4)24(25)10-8-16-21(28(33)34)19(27(31)32)13-20(35-5)22(16)36-24/h6-8,10,12-14H,9,11H2,1-5H3