3-[bis(azanyl)methylideneamino]-4-(2-methylpropanoylamino)benzoic acid

Systemtic Name: 3-[bis(azanyl)methylideneamino]-4-(2-methylpropanoylamino)benzoic acid Openeye Name: 3-guanidino-4-(2-methylpropanoylamino)benzoic acid CAS Name: 3-(diaminomethylideneamino)-4-[(2-methyl-1-oxopropyl)amino]benzoic acid IUPAC Name: 3-(diaminomethylideneamino)-4-(2-methylpropanoylamino)benzoic acid Traditional Name: 3-guanidino-4-(isobutyrylamino)benzoic acid Formula: C12H16N4O3 MolecularWeight: 264.28044

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(=O)NC1=C(C=C(C=C1)C(=O)O)N=C(N)N

Isomeric SMILES

CC(C)C(=O)NC1=C(C=C(C=C1)C(=O)O)N=C(N)N

InChI

InChI=1S/C12H16N4O3/c1-6(2)10(17)15-8-4-3-7(11(18)19)5-9(8)16-12(13)14/h3-6H,1-2H3,(H,15,17)(H,18,19)(H4,13,14,16)