[4-(1-azanyl-1-oxidanylidene-propan-2-yl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: [4-(1-azanyl-1-oxidanylidene-propan-2-yl)phenyl] 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: [4-(2-amino-1-methyl-2-oxo-ethyl)phenyl] 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid [4-(1-amino-1-oxopropan-2-yl)phenyl] ester IUPAC Name: [4-(1-amino-1-oxopropan-2-yl)phenyl] 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid [4-(2-amino-2-keto-1-methyl-ethyl)phenyl] ester Formula: C17H18N4O3 MolecularWeight: 326.34982

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Descriptors Computed from Structure

Canonical SMILES:

CC(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)C(=O)N

Isomeric SMILES

CC(C1=CC=C(C=C1)OC(=O)C2=CC=C(C=C2)N=C(N)N)C(=O)N

InChI

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