2-benzamido-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-oxidanylidene-4-(trifluoromethyl)chromene-7-carboxamide

Systemtic Name: 2-benzamido-5-[bis(azanyl)methylideneamino]pentanoic acid; 2-oxidanylidene-4-(trifluoromethyl)chromene-7-carboxamide Openeye Name: 2-benzamido-5-guanidino-pentanoic acid; 2-oxo-4-(trifluoromethyl)chromene-7-carboxamide CAS Name: 2-benzamido-5-(diaminomethylideneamino)pentanoic acid; 2-oxo-4-(trifluoromethyl)-1-benzopyran-7-carboxamide IUPAC Name: 2-benzamido-5-(diaminomethylideneamino)pentanoic acid; 2-oxo-4-(trifluoromethyl)chromene-7-carboxamide Traditional Name: 2-benzamido-5-guanidino-valeric acid; 2-keto-4-(trifluoromethyl)chromene-7-carboxamide Formula: C24H24F3N5O6 MolecularWeight: 535.47247

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O.C1=CC2=C(C=C1C(=O)N)OC(=O)C=C2C(F)(F)F

Isomeric SMILES

C1=CC=C(C=C1)C(=O)NC(CCCN=C(N)N)C(=O)O.C1=CC2=C(C=C1C(=O)N)OC(=O)C=C2C(F)(F)F

InChI

InChI=1S/C13H18N4O3.C11H6F3NO3/c14-13(15)16-8-4-7-10(12(19)20)17-11(18)9-5-2-1-3-6-9;12-11(13,14)7-4-9(16)18-8-3-5(10(15)17)1-2-6(7)8/h1-3,5-6,10H,4,7-8H2,(H,17,18)(H,19,20)(H4,14,15,16);1-4H,(H2,15,17)