3-butyl-6'-nitro-3'-phenyl-spiro[1,3-benzothiazole-2,2'-chromene]

Systemtic Name: 3-butyl-6'-nitro-3'-phenyl-spiro[1,3-benzothiazole-2,2'-chromene] Openeye Name: 3-butyl-6'-nitro-3'-phenyl-spiro[1,3-benzothiazole-2,2'-chromene] CAS Name: 3-butyl-6'-nitro-3'-phenylspiro[1,3-benzothiazole-2,2'-1-benzopyran] IUPAC Name: 3-butyl-6'-nitro-3'-phenylspiro[1,3-benzothiazole-2,2'-chromene] Traditional Name: 3-butyl-6'-nitro-3'-phenyl-spiro[1,3-benzothiazole-2,2'-chromene] Formula: C25H22N2O3S MolecularWeight: 430.51878

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Descriptors Computed from Structure

Canonical SMILES:

CCCCN1C2=CC=CC=C2SC13C(=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

Isomeric SMILES

CCCCN1C2=CC=CC=C2SC13C(=CC4=C(O3)C=CC(=C4)[N+](=O)[O-])C5=CC=CC=C5

InChI

InChI=1S/C25H22N2O3S/c1-2-3-15-26-22-11-7-8-12-24(22)31-25(26)21(18-9-5-4-6-10-18)17-19-16-20(27(28)29)13-14-23(19)30-25/h4-14,16-17H,2-3,15H2,1H3