4-(5-ethylthiophen-2-yl)-7-nitro-2H-phthalazin-1-one

Systemtic Name: 4-(5-ethylthiophen-2-yl)-7-nitro-2H-phthalazin-1-one Openeye Name: 4-(5-ethyl-2-thienyl)-7-nitro-2H-phthalazin-1-one CAS Name: 4-(5-ethyl-2-thiophenyl)-7-nitro-2H-phthalazin-1-one IUPAC Name: 4-(5-ethylthiophen-2-yl)-7-nitro-2H-phthalazin-1-one Traditional Name: 4-(5-ethyl-2-thienyl)-7-nitro-2H-phthalazin-1-one Formula: C14H11N3O3S MolecularWeight: 301.32044

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=C(S1)C2=NNC(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

Isomeric SMILES

CCC1=CC=C(S1)C2=NNC(=O)C3=C2C=CC(=C3)[N+](=O)[O-]

InChI

InChI=1S/C14H11N3O3S/c1-2-9-4-6-12(21-9)13-10-5-3-8(17(19)20)7-11(10)14(18)16-15-13/h3-7H,2H2,1H3,(H,16,18)