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

Systemtic Name: (4-methyl-2-oxidanylidene-chromen-7-yl) 4-[bis(azanyl)methylideneamino]benzoate hydrate hydrochloride Openeye Name: (4-methyl-2-oxo-chromen-7-yl) 4-guanidinobenzoate hydrate hydrochloride CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-methyl-2-oxo-1-benzopyran-7-yl) ester hydrate hydrochloride IUPAC Name: (4-methyl-2-oxochromen-7-yl) 4-(diaminomethylideneamino)benzoate hydrate hydrochloride Traditional Name: 4-guanidinobenzoic acid (2-keto-4-methyl-chromen-7-yl) ester hydrate hydrochloride Formula: C18H18ClN3O5 MolecularWeight: 391.80562

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N.O.Cl

Isomeric SMILES

CC1=CC(=O)OC2=C1C=CC(=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N.O.Cl

InChI

InChI=1S/C18H15N3O4.ClH.H2O/c1-10-8-16(22)25-15-9-13(6-7-14(10)15)24-17(23)11-2-4-12(5-3-11)21-18(19)20;;/h2-9H,1H3,(H4,19,20,21);1H;1H2