[1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [1-(2-azanyl-2-oxidanylidene-ethyl)-6-carbamimidoyl-naphthalen-2-yl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [1-(2-amino-2-oxo-ethyl)-6-carbamimidoyl-2-naphthyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [1-(2-amino-2-oxoethyl)-6-carbamimidoyl-2-naphthalenyl] ester IUPAC Name: [1-(2-amino-2-oxoethyl)-6-carbamimidoylnaphthalen-2-yl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [6-amidino-1-(2-amino-2-keto-ethyl)-2-naphthyl] ester Formula: C21H20N6O3 MolecularWeight: 404.4219

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(C3=C(C=C2)C=C(C=C3)C(=N)N)CC(=O)N)N=C(N)N

InChI

InChI=1S/C21H20N6O3/c22-18(28)10-16-15-7-3-13(19(23)24)9-12(15)4-8-17(16)30-20(29)11-1-5-14(6-2-11)27-21(25)26/h1-9H,10H2,(H2,22,28)(H3,23,24)(H4,25,26,27)