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

Systemtic Name: (4-carbamimidoyl-2-nitro-phenyl) 4-[bis(azanyl)methylideneamino]benzoate Openeye Name: (4-carbamimidoyl-2-nitro-phenyl) 4-guanidinobenzoate CAS Name: 4-(diaminomethylideneamino)benzoic acid (4-carbamimidoyl-2-nitrophenyl) ester IUPAC Name: (4-carbamimidoyl-2-nitrophenyl) 4-(diaminomethylideneamino)benzoate Traditional Name: 4-guanidinobenzoic acid (4-amidino-2-nitro-phenyl) ester Formula: C15H14N6O4 MolecularWeight: 342.30946

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C15H14N6O4/c16-13(17)9-3-6-12(11(7-9)21(23)24)25-14(22)8-1-4-10(5-2-8)20-15(18)19/h1-7H,(H3,16,17)(H4,18,19,20)