1'-butyl-3',3'-dimethyl-6,8-dinitro-spiro[chromene-2,2'-indole]

Systemtic Name: 1'-butyl-3',3'-dimethyl-6,8-dinitro-spiro[chromene-2,2'-indole] Openeye Name: 1'-butyl-3',3'-dimethyl-6,8-dinitro-spiro[chromene-2,2'-indoline] CAS Name: 1'-butyl-3',3'-dimethyl-6,8-dinitrospiro[1-benzopyran-2,2'-indole] IUPAC Name: 1'-butyl-3',3'-dimethyl-6,8-dinitrospiro[chromene-2,2'-indole] Traditional Name: 1'-butyl-3',3'-dimethyl-6,8-dinitro-spiro[chromene-2,2'-indoline] Formula: C22H23N3O5 MolecularWeight: 409.43512

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2C(C13C=CC4=CC(=CC(=C4O3)[N+](=O)[O-])[N+](=O)[O-])(C)C

Isomeric SMILES

CCCCN1C2=CC=CC=C2C(C13C=CC4=CC(=CC(=C4O3)[N+](=O)[O-])[N+](=O)[O-])(C)C

InChI

InChI=1S/C22H23N3O5/c1-4-5-12-23-18-9-7-6-8-17(18)21(2,3)22(23)11-10-15-13-16(24(26)27)14-19(25(28)29)20(15)30-22/h6-11,13-14H,4-5,12H2,1-3H3