[6-(N'-methylcarbamimidoyl)naphthalen-2-yl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [6-(N'-methylcarbamimidoyl)naphthalen-2-yl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [6-(N'-methylcarbamimidoyl)-2-naphthyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [6-[amino(methylimino)methyl]-2-naphthalenyl] ester IUPAC Name: [6-(N'-methylcarbamimidoyl)naphthalen-2-yl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [6-(N'-methylamidino)-2-naphthyl] ester Formula: C20H19N5O2 MolecularWeight: 361.39716

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Descriptors Computed from Structure

Canonical SMILES:

CN=C(C1=CC2=C(C=C1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)N

Isomeric SMILES

CN=C(C1=CC2=C(C=C1)C=C(C=C2)OC(=O)C3=CC=C(C=C3)N=C(N)N)N

InChI

InChI=1S/C20H19N5O2/c1-24-18(21)15-3-2-14-11-17(9-6-13(14)10-15)27-19(26)12-4-7-16(8-5-12)25-20(22)23/h2-11H,1H3,(H2,21,24)(H4,22,23,25)