(2,6-dimethyl-4-nitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate

Systemtic Name: (2,6-dimethyl-4-nitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: (2,6-dimethyl-4-nitro-phenyl) 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid (2,6-dimethyl-4-nitrophenyl) ester IUPAC Name: (2,6-dimethyl-4-nitrophenyl) 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (2,6-dimethyl-4-nitro-phenyl) ester Formula: C16H16N4O4 MolecularWeight: 328.32264

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)N=C(N)N)C)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=CC(=C1OC(=O)C2=CC=C(C=C2)N=C(N)N)C)[N+](=O)[O-]

InChI

InChI=1S/C16H16N4O4/c1-9-7-13(20(22)23)8-10(2)14(9)24-15(21)11-3-5-12(6-4-11)19-16(17)18/h3-8H,1-2H3,(H4,17,18,19)