(4-methoxycarbonylphenyl) 5-[bis(azanyl)methylideneamino]-1,2,3,4-tetrahydronaphthalene-1-carboxylate

Systemtic Name: (4-methoxycarbonylphenyl) 5-[bis(azanyl)methylideneamino]-1,2,3,4-tetrahydronaphthalene-1-carboxylate Openeye Name: (4-methoxycarbonylphenyl) 5-guanidinotetralin-1-carboxylate CAS Name: 5-(diaminomethylideneamino)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (4-methoxycarbonylphenyl) ester IUPAC Name: (4-methoxycarbonylphenyl) 5-(diaminomethylideneamino)-1,2,3,4-tetrahydronaphthalene-1-carboxylate Traditional Name: 5-guanidinotetralin-1-carboxylic acid (4-carbomethoxyphenyl) ester Formula: C20H21N3O4 MolecularWeight: 367.39844

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=C(C=C1)OC(=O)C2CCCC3=C2C=CC=C3N=C(N)N

Isomeric SMILES

COC(=O)C1=CC=C(C=C1)OC(=O)C2CCCC3=C2C=CC=C3N=C(N)N

InChI

InChI=1S/C20H21N3O4/c1-26-18(24)12-8-10-13(11-9-12)27-19(25)16-6-2-5-15-14(16)4-3-7-17(15)23-20(21)22/h3-4,7-11,16H,2,5-6H2,1H3,(H4,21,22,23)