6-chloranyl-4-ethyl-8-[[(4-methoxycarbonylphenyl)methylazaniumyl]methyl]-2-oxidanylidene-chromen-7-olate

Systemtic Name: 6-chloranyl-4-ethyl-8-[[(4-methoxycarbonylphenyl)methylazaniumyl]methyl]-2-oxidanylidene-chromen-7-olate Openeye Name: 6-chloro-4-ethyl-8-[[(4-methoxycarbonylphenyl)methylammonio]methyl]-2-oxo-chromen-7-olate CAS Name: 6-chloro-4-ethyl-8-[[(4-methoxycarbonylphenyl)methylammonio]methyl]-2-oxo-1-benzopyran-7-olate IUPAC Name: 6-chloro-4-ethyl-8-[[(4-methoxycarbonylphenyl)methylazaniumyl]methyl]-2-oxochromen-7-olate Traditional Name: 8-[[(4-carbomethoxybenzyl)ammonio]methyl]-6-chloro-4-ethyl-2-keto-chromen-7-olate Formula: C21H20ClNO5 MolecularWeight: 401.8402

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3=CC=C(C=C3)C(=O)OC

Isomeric SMILES

CCC1=CC(=O)OC2=C(C(=C(C=C12)Cl)[O-])C[NH2+]CC3=CC=C(C=C3)C(=O)OC

InChI

InChI=1S/C21H20ClNO5/c1-3-13-8-18(24)28-20-15(13)9-17(22)19(25)16(20)11-23-10-12-4-6-14(7-5-12)21(26)27-2/h4-9,23,25H,3,10-11H2,1-2H3