4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-nitro-phenol

Systemtic Name: 4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-nitro-phenol Openeye Name: 4-(isothiochroman-4-ylamino)-3-nitro-phenol CAS Name: 4-(3,4-dihydro-1H-2-benzothiopyran-4-ylamino)-3-nitrophenol IUPAC Name: 4-(3,4-dihydro-1H-isothiochromen-4-ylamino)-3-nitrophenol Traditional Name: 4-(isothiochroman-4-ylamino)-3-nitro-phenol Formula: C15H14N2O3S MolecularWeight: 302.34826

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Descriptors Computed from Structure

Canonical SMILES:

C1C(C2=CC=CC=C2CS1)NC3=C(C=C(C=C3)O)[N+](=O)[O-]

Isomeric SMILES

C1C(C2=CC=CC=C2CS1)NC3=C(C=C(C=C3)O)[N+](=O)[O-]

InChI

InChI=1S/C15H14N2O3S/c18-11-5-6-13(15(7-11)17(19)20)16-14-9-21-8-10-3-1-2-4-12(10)14/h1-7,14,16,18H,8-9H2