4-[4-azanyl-1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)phthalazin-2-yl]butanoic acid

Systemtic Name: 4-[4-azanyl-1-(4-oxidanylidenecyclohexa-2,5-dien-1-ylidene)phthalazin-2-yl]butanoic acid Openeye Name: 4-[4-amino-1-(4-oxocyclohexa-2,5-dien-1-ylidene)phthalazin-2-yl]butanoic acid CAS Name: 4-[4-amino-1-(4-oxo-1-cyclohexa-2,5-dienylidene)-2-phthalazinyl]butanoic acid IUPAC Name: 4-[4-amino-1-(4-oxocyclohexa-2,5-dien-1-ylidene)phthalazin-2-yl]butanoic acid Traditional Name: 4-[4-amino-1-(4-ketocyclohexa-2,5-dien-1-ylidene)phthalazin-2-yl]butyric acid Formula: C18H17N3O3 MolecularWeight: 323.34588

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)N(N=C2N)CCCC(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C(=C3C=CC(=O)C=C3)N(N=C2N)CCCC(=O)O

InChI

InChI=1S/C18H17N3O3/c19-18-15-5-2-1-4-14(15)17(12-7-9-13(22)10-8-12)21(20-18)11-3-6-16(23)24/h1-2,4-5,7-10H,3,6,11H2,(H2,19,20)(H,23,24)