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

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

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C21H23N3O4/c1-2-27-19(25)13-9-11-14(12-10-13)28-20(26)17-7-3-6-16-15(17)5-4-8-18(16)24-21(22)23/h4-5,8-12,17H,2-3,6-7H2,1H3,(H4,22,23,24)