tert-butyl 5'-azanyl-1',3',3'-trimethyl-6-nitro-spiro[chromene-2,2'-indol-1-ium]-1'-carboxylate

Systemtic Name: tert-butyl 5'-azanyl-1',3',3'-trimethyl-6-nitro-spiro[chromene-2,2'-indol-1-ium]-1'-carboxylate Openeye Name: tert-butyl 5'-amino-1',3',3'-trimethyl-6-nitro-spiro[chromene-2,2'-indolin-1-ium]-1'-carboxylate CAS Name: 5'-amino-1',3',3'-trimethyl-6-nitro-1'-spiro[1-benzopyran-2,2'-indol-1-ium]carboxylic acid tert-butyl ester IUPAC Name: tert-butyl 5'-amino-1',3',3'-trimethyl-6-nitrospiro[chromene-2,2'-indol-1-ium]-1'-carboxylate Traditional Name: 5'-amino-1',3',3'-trimethyl-6-nitro-spiro[chromene-2,2'-indolin-1-ium]-1'-carboxylic acid tert-butyl ester Formula: C24H28N3O5+ MolecularWeight: 438.49622

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Descriptors Computed from Structure

Canonical SMILES:

CC1(C2=C(C=CC(=C2)N)[N+](C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])(C)C(=O)OC(C)(C)C)C

Isomeric SMILES

CC1(C2=C(C=CC(=C2)N)[N+](C13C=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])(C)C(=O)OC(C)(C)C)C

InChI

InChI=1S/C24H28N3O5/c1-22(2,3)32-21(28)27(6)19-9-7-16(25)14-18(19)23(4,5)24(27)12-11-15-13-17(26(29)30)8-10-20(15)31-24/h7-14H,25H2,1-6H3/q+1