ethyl 3-[bis(azanyl)methylideneamino]-4-(2-methylpropanoylamino)benzoate

Systemtic Name: ethyl 3-[bis(azanyl)methylideneamino]-4-(2-methylpropanoylamino)benzoate Openeye Name: ethyl 3-guanidino-4-(2-methylpropanoylamino)benzoate CAS Name: 3-(diaminomethylideneamino)-4-[(2-methyl-1-oxopropyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-(diaminomethylideneamino)-4-(2-methylpropanoylamino)benzoate Traditional Name: 3-guanidino-4-(isobutyrylamino)benzoic acid ethyl ester Formula: C14H20N4O3 MolecularWeight: 292.3336

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)C)N=C(N)N

Isomeric SMILES

CCOC(=O)C1=CC(=C(C=C1)NC(=O)C(C)C)N=C(N)N

InChI

InChI=1S/C14H20N4O3/c1-4-21-13(20)9-5-6-10(17-12(19)8(2)3)11(7-9)18-14(15)16/h5-8H,4H2,1-3H3,(H,17,19)(H4,15,16,18)