methyl 2-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]carbonylamino]benzoate

Systemtic Name: methyl 2-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]carbonylamino]benzoate Openeye Name: methyl 2-[[4-(guanidinomethyl)benzoyl]amino]benzoate CAS Name: 2-[[[4-[(diaminomethylideneamino)methyl]phenyl]-oxomethyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]benzoate Traditional Name: 2-[[4-(guanidinomethyl)benzoyl]amino]benzoic acid methyl ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N

Isomeric SMILES

COC(=O)C1=CC=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N

InChI

InChI=1S/C17H18N4O3/c1-24-16(23)13-4-2-3-5-14(13)21-15(22)12-8-6-11(7-9-12)10-20-17(18)19/h2-9H,10H2,1H3,(H,21,22)(H4,18,19,20)