3-nitro-4-(phenoxathiin-2-ylamino)chromen-2-one

Systemtic Name: 3-nitro-4-(phenoxathiin-2-ylamino)chromen-2-one Openeye Name: 3-nitro-4-(phenoxathiin-2-ylamino)chromen-2-one CAS Name: 3-nitro-4-(2-phenoxathiinylamino)-1-benzopyran-2-one IUPAC Name: 3-nitro-4-(phenoxathiin-2-ylamino)chromen-2-one Traditional Name: 3-nitro-4-(phenoxathiin-2-ylamino)coumarin Formula: C21H12N2O5S MolecularWeight: 404.39538

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)OC5=CC=CC=C5S4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)OC5=CC=CC=C5S4

InChI

InChI=1S/C21H12N2O5S/c24-21-20(23(25)26)19(13-5-1-2-6-14(13)28-21)22-12-9-10-16-18(11-12)29-17-8-4-3-7-15(17)27-16/h1-11,22H