3,6-dinitro-4-(phenoxathiin-2-ylamino)chromen-2-one

Systemtic Name: 3,6-dinitro-4-(phenoxathiin-2-ylamino)chromen-2-one Openeye Name: 3,6-dinitro-4-(phenoxathiin-2-ylamino)chromen-2-one CAS Name: 3,6-dinitro-4-(2-phenoxathiinylamino)-1-benzopyran-2-one IUPAC Name: 3,6-dinitro-4-(phenoxathiin-2-ylamino)chromen-2-one Traditional Name: 3,6-dinitro-4-(phenoxathiin-2-ylamino)coumarin Formula: C21H11N3O7S MolecularWeight: 449.39294

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Descriptors Computed from Structure

Canonical SMILES:

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

InChI

InChI=1S/C21H11N3O7S/c25-21-20(24(28)29)19(13-10-12(23(26)27)6-8-14(13)31-21)22-11-5-7-16-18(9-11)32-17-4-2-1-3-15(17)30-16/h1-10,22H