5-[bis(azanyl)methylideneazaniumyl]-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]pentanoate

Systemtic Name: 5-[bis(azanyl)methylideneazaniumyl]-2-[2-(4-methyl-2-oxidanylidene-chromen-7-yl)oxypropanoylamino]pentanoate Openeye Name: 5-(diaminomethyleneammonio)-2-[2-(4-methyl-2-oxo-chromen-7-yl)oxypropanoylamino]pentanoate CAS Name: 5-(diaminomethylideneammonio)-2-[[2-[(4-methyl-2-oxo-1-benzopyran-7-yl)oxy]-1-oxopropyl]amino]pentanoate IUPAC Name: 5-(diaminomethylideneazaniumyl)-2-[2-(4-methyl-2-oxochromen-7-yl)oxypropanoylamino]pentanoate Traditional Name: 5-(diaminomethyleneammonio)-2-[2-(2-keto-4-methyl-chromen-7-yl)oxypropanoylamino]valerate Formula: C19H24N4O6 MolecularWeight: 404.41706

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(C)C(=O)NC(CCC[NH+]=C(N)N)C(=O)[O-]

InChI

InChI=1S/C19H24N4O6/c1-10-8-16(24)29-15-9-12(5-6-13(10)15)28-11(2)17(25)23-14(18(26)27)4-3-7-22-19(20)21/h5-6,8-9,11,14H,3-4,7H2,1-2H3,(H,23,25)(H,26,27)(H4,20,21,22)