[6-cyano-1-ethoxycarbonyl-7-(furan-2-yl)-3-(4-methylphenyl)-4-oxidanylidene-4aH-phthalazin-5-ylidene]azanium

Systemtic Name: [6-cyano-1-ethoxycarbonyl-7-(furan-2-yl)-3-(4-methylphenyl)-4-oxidanylidene-4aH-phthalazin-5-ylidene]azanium Openeye Name: [6-cyano-1-ethoxycarbonyl-7-(2-furyl)-4-oxo-3-(p-tolyl)-4aH-phthalazin-5-ylidene]ammonium CAS Name: [6-cyano-1-ethoxycarbonyl-7-(2-furanyl)-3-(4-methylphenyl)-4-oxo-4aH-phthalazin-5-ylidene]ammonium IUPAC Name: [6-cyano-1-ethoxycarbonyl-7-(furan-2-yl)-3-(4-methylphenyl)-4-oxo-4aH-phthalazin-5-ylidene]azanium Traditional Name: [1-carbethoxy-6-cyano-7-(2-furyl)-4-keto-3-(p-tolyl)-4aH-phthalazin-5-ylidene]ammonium Formula: C23H19N4O4+ MolecularWeight: 415.42136

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=NN(C(=O)C2C1=CC(=C(C2=[NH2+])C#N)C3=CC=CO3)C4=CC=C(C=C4)C

Isomeric SMILES

CCOC(=O)C1=NN(C(=O)C2C1=CC(=C(C2=[NH2+])C#N)C3=CC=CO3)C4=CC=C(C=C4)C

InChI

InChI=1S/C23H18N4O4/c1-3-30-23(29)21-16-11-15(18-5-4-10-31-18)17(12-24)20(25)19(16)22(28)27(26-21)14-8-6-13(2)7-9-14/h4-11,19,25H,3H2,1-2H3/p+1