4-[[10,10-bis(oxidanylidene)phenoxathiin-2-yl]amino]-3,6-dinitro-chromen-2-one

Systemtic Name: 4-[[10,10-bis(oxidanylidene)phenoxathiin-2-yl]amino]-3,6-dinitro-chromen-2-one Openeye Name: 4-[(10,10-dioxophenoxathiin-2-yl)amino]-3,6-dinitro-chromen-2-one CAS Name: 4-[(10,10-dioxo-2-phenoxathiinyl)amino]-3,6-dinitro-1-benzopyran-2-one IUPAC Name: 4-[(10,10-dioxophenoxathiin-2-yl)amino]-3,6-dinitrochromen-2-one Traditional Name: 4-[(10,10-diketophenoxathiin-2-yl)amino]-3,6-dinitro-coumarin Formula: C21H11N3O9S MolecularWeight: 481.39174

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)NC4=C(C(=O)OC5=C4C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)OC3=C(S2(=O)=O)C=C(C=C3)NC4=C(C(=O)OC5=C4C=C(C=C5)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C21H11N3O9S/c25-21-20(24(28)29)19(13-10-12(23(26)27)6-8-14(13)33-21)22-11-5-7-16-18(9-11)34(30,31)17-4-2-1-3-15(17)32-16/h1-10,22H