4-(dibenzo-p-dioxin-2-ylamino)-3-nitro-chromen-2-one

Systemtic Name: 4-(dibenzo-p-dioxin-2-ylamino)-3-nitro-chromen-2-one Openeye Name: 4-(dibenzo-p-dioxin-2-ylamino)-3-nitro-chromen-2-one CAS Name: 4-(2-dibenzo-p-dioxinylamino)-3-nitro-1-benzopyran-2-one IUPAC Name: 4-(dibenzo-p-dioxin-2-ylamino)-3-nitrochromen-2-one Traditional Name: 4-(dibenzo-p-dioxin-2-ylamino)-3-nitro-coumarin Formula: C21H12N2O6 MolecularWeight: 388.32978

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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=C5O4

Isomeric SMILES

C1=CC=C2C(=C1)C(=C(C(=O)O2)[N+](=O)[O-])NC3=CC4=C(C=C3)OC5=CC=CC=C5O4

InChI

InChI=1S/C21H12N2O6/c24-21-20(23(25)26)19(13-5-1-2-6-14(13)29-21)22-12-9-10-17-18(11-12)28-16-8-4-3-7-15(16)27-17/h1-11,22H