3-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]carbonylamino]-2-ethoxy-benzoic acid

Systemtic Name: 3-[[4-[[bis(azanyl)methylideneamino]methyl]phenyl]carbonylamino]-2-ethoxy-benzoic acid Openeye Name: 2-ethoxy-3-[[4-(guanidinomethyl)benzoyl]amino]benzoic acid CAS Name: 3-[[[4-[(diaminomethylideneamino)methyl]phenyl]-oxomethyl]amino]-2-ethoxybenzoic acid IUPAC Name: 3-[[4-[(diaminomethylideneamino)methyl]benzoyl]amino]-2-ethoxybenzoic acid Traditional Name: 2-ethoxy-3-[[4-(guanidinomethyl)benzoyl]amino]benzoic acid Formula: C18H20N4O4 MolecularWeight: 356.3758

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N)C(=O)O

Isomeric SMILES

CCOC1=C(C=CC=C1NC(=O)C2=CC=C(C=C2)CN=C(N)N)C(=O)O

InChI

InChI=1S/C18H20N4O4/c1-2-26-15-13(17(24)25)4-3-5-14(15)22-16(23)12-8-6-11(7-9-12)10-21-18(19)20/h3-9H,2,10H2,1H3,(H,22,23)(H,24,25)(H4,19,20,21)