(3-methyl-2-oxidanylidene-chromen-7-yl) 4-[bis(azanyl)methylideneamino]benzoate chloride

Systemtic Name: (3-methyl-2-oxidanylidene-chromen-7-yl) 4-[bis(azanyl)methylideneamino]benzoate chloride Openeye Name: (3-methyl-2-oxo-chromen-7-yl) 4-guanidinobenzoate chloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (3-methyl-2-oxo-1-benzopyran-7-yl) ester chloride IUPAC Name: (3-methyl-2-oxochromen-7-yl) 4-(diaminomethylideneamino)benzoate chloride Traditional Name: 4-guanidinobenzoic acid (2-keto-3-methyl-chromen-7-yl) ester chloride Formula: C18H15ClN3O4- MolecularWeight: 372.7824

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)OC1=O.[Cl-]

Isomeric SMILES

CC1=CC2=C(C=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)OC1=O.[Cl-]

InChI

InChI=1S/C18H15N3O4.ClH/c1-10-8-12-4-7-14(9-15(12)25-16(10)22)24-17(23)11-2-5-13(6-3-11)21-18(19)20;/h2-9H,1H3,(H4,19,20,21);1H/p-1