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

Systemtic Name: 2-[bis(azanyl)methylideneamino]-3-(4-methyl-2-oxidanylidene-chromen-7-yl)benzoic acid Openeye Name: 2-guanidino-3-(4-methyl-2-oxo-chromen-7-yl)benzoic acid CAS Name: 2-(diaminomethylideneamino)-3-(4-methyl-2-oxo-1-benzopyran-7-yl)benzoic acid IUPAC Name: 2-(diaminomethylideneamino)-3-(4-methyl-2-oxochromen-7-yl)benzoic acid Traditional Name: 2-guanidino-3-(2-keto-4-methyl-chromen-7-yl)benzoic acid Formula: C18H15N3O4 MolecularWeight: 337.3294

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

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