(2-chloranyl-4-nitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: (2-chloranyl-4-nitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: (2-chloro-4-nitro-phenyl) 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid (2-chloro-4-nitrophenyl) ester IUPAC Name: (2-chloro-4-nitrophenyl) 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (2-chloro-4-nitro-phenyl) ester Formula: C14H11ClN4O4 MolecularWeight: 334.71454

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N=C(N)N

Isomeric SMILES

C1=CC(=CC=C1C(=O)OC2=C(C=C(C=C2)[N+](=O)[O-])Cl)N=C(N)N

InChI

InChI=1S/C14H11ClN4O4/c15-11-7-10(19(21)22)5-6-12(11)23-13(20)8-1-3-9(4-2-8)18-14(16)17/h1-7H,(H4,16,17,18)