3-(4,5-dimethoxy-2-nitro-phenyl)chromen-2-one

Systemtic Name: 3-(4,5-dimethoxy-2-nitro-phenyl)chromen-2-one Openeye Name: 3-(4,5-dimethoxy-2-nitro-phenyl)chromen-2-one CAS Name: 3-(4,5-dimethoxy-2-nitrophenyl)-1-benzopyran-2-one IUPAC Name: 3-(4,5-dimethoxy-2-nitrophenyl)chromen-2-one Traditional Name: 3-(4,5-dimethoxy-2-nitro-phenyl)coumarin Formula: C17H13NO6 MolecularWeight: 327.28822

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C(=C1)C2=CC3=CC=CC=C3OC2=O)[N+](=O)[O-])OC

Isomeric SMILES

COC1=C(C=C(C(=C1)C2=CC3=CC=CC=C3OC2=O)[N+](=O)[O-])OC

InChI

InChI=1S/C17H13NO6/c1-22-15-8-11(13(18(20)21)9-16(15)23-2)12-7-10-5-3-4-6-14(10)24-17(12)19/h3-9H,1-2H3