3-nitro-4-[2-(3-nitro-2-oxidanylidene-chromen-4-yl)sulfanylethyl-phenyl-amino]chromen-2-one

Systemtic Name: 3-nitro-4-[2-(3-nitro-2-oxidanylidene-chromen-4-yl)sulfanylethyl-phenyl-amino]chromen-2-one Openeye Name: 3-nitro-4-[N-[2-(3-nitro-2-oxo-chromen-4-yl)sulfanylethyl]anilino]chromen-2-one CAS Name: 3-nitro-4-[N-[2-[(3-nitro-2-oxo-1-benzopyran-4-yl)thio]ethyl]anilino]-1-benzopyran-2-one IUPAC Name: 3-nitro-4-[N-[2-(3-nitro-2-oxochromen-4-yl)sulfanylethyl]anilino]chromen-2-one Traditional Name: 4-[N-[2-[(2-keto-3-nitro-chromen-4-yl)thio]ethyl]anilino]-3-nitro-coumarin Formula: C26H17N3O8S MolecularWeight: 531.49348

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCSC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])C4=C(C(=O)OC5=CC=CC=C54)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C=C1)N(CCSC2=C(C(=O)OC3=CC=CC=C32)[N+](=O)[O-])C4=C(C(=O)OC5=CC=CC=C54)[N+](=O)[O-]

InChI

InChI=1S/C26H17N3O8S/c30-25-22(28(32)33)21(17-10-4-6-12-19(17)36-25)27(16-8-2-1-3-9-16)14-15-38-24-18-11-5-7-13-20(18)37-26(31)23(24)29(34)35/h1-13H,14-15H2