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

Systemtic Name: (2-ethoxycarbonylphenyl) 5-[bis(azanyl)methylideneamino]-1,2,3,4-tetrahydronaphthalene-1-carboxylate Openeye Name: (2-ethoxycarbonylphenyl) 5-guanidinotetralin-1-carboxylate CAS Name: 5-(diaminomethylideneamino)-1,2,3,4-tetrahydronaphthalene-1-carboxylic acid (2-ethoxycarbonylphenyl) ester IUPAC Name: (2-ethoxycarbonylphenyl) 5-(diaminomethylideneamino)-1,2,3,4-tetrahydronaphthalene-1-carboxylate Traditional Name: 5-guanidinotetralin-1-carboxylic acid (2-carbethoxyphenyl) ester Formula: C21H23N3O4 MolecularWeight: 381.42502

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1OC(=O)C2CCCC3=C2C=CC=C3N=C(N)N

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1OC(=O)C2CCCC3=C2C=CC=C3N=C(N)N

InChI

InChI=1S/C21H23N3O4/c1-2-27-19(25)16-7-3-4-12-18(16)28-20(26)15-10-5-9-14-13(15)8-6-11-17(14)24-21(22)23/h3-4,6-8,11-12,15H,2,5,9-10H2,1H3,(H4,22,23,24)