[2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)amino]-2-oxidanylidene-ethyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [2-[(1-azanyl-3-methyl-1-oxidanylidene-butan-2-yl)amino]-2-oxidanylidene-ethyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [2-[(1-carbamoyl-2-methyl-propyl)amino]-2-oxo-ethyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl] ester IUPAC Name: [2-[(1-amino-3-methyl-1-oxobutan-2-yl)amino]-2-oxoethyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [2-[(1-carbamoyl-2-methyl-propyl)amino]-2-keto-ethyl] ester Formula: C15H21N5O4 MolecularWeight: 335.35834

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H21N5O4/c1-8(2)12(13(16)22)20-11(21)7-24-14(23)9-3-5-10(6-4-9)19-15(17)18/h3-6,8,12H,7H2,1-2H3,(H2,16,22)(H,20,21)(H4,17,18,19)