3-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-nitro-chromen-2-one

Systemtic Name: 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-nitro-chromen-2-one Openeye Name: 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-nitro-chromen-2-one CAS Name: 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-nitro-1-benzopyran-2-one IUPAC Name: 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-nitrochromen-2-one Traditional Name: 3-(5,6-dimethyl-1H-benzimidazol-2-yl)-6-nitro-coumarin Formula: C18H13N3O4 MolecularWeight: 335.31352

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1C)N=C(N2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

Isomeric SMILES

CC1=CC2=C(C=C1C)N=C(N2)C3=CC4=C(C=CC(=C4)[N+](=O)[O-])OC3=O

InChI

InChI=1S/C18H13N3O4/c1-9-5-14-15(6-10(9)2)20-17(19-14)13-8-11-7-12(21(23)24)3-4-16(11)25-18(13)22/h3-8H,1-2H3,(H,19,20)