2-[3-[(5-nitro-1-benzothiophen-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid

Systemtic Name: 2-[3-[(5-nitro-1-benzothiophen-2-yl)methyl]-4-oxidanylidene-phthalazin-1-yl]ethanoic acid Openeye Name: 2-[3-[(5-nitrobenzothiophen-2-yl)methyl]-4-oxo-phthalazin-1-yl]acetic acid CAS Name: 2-[3-[(5-nitro-1-benzothiophen-2-yl)methyl]-4-oxo-1-phthalazinyl]acetic acid IUPAC Name: 2-[3-[(5-nitro-1-benzothiophen-2-yl)methyl]-4-oxophthalazin-1-yl]acetic acid Traditional Name: 2-[4-keto-3-[(5-nitrobenzothiophen-2-yl)methyl]phthalazin-1-yl]acetic acid Formula: C19H13N3O5S MolecularWeight: 395.38862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=NN(C2=O)CC3=CC4=C(S3)C=CC(=C4)[N+](=O)[O-])CC(=O)O

InChI

InChI=1S/C19H13N3O5S/c23-18(24)9-16-14-3-1-2-4-15(14)19(25)21(20-16)10-13-8-11-7-12(22(26)27)5-6-17(11)28-13/h1-8H,9-10H2,(H,23,24)