4-[bis(azanyl)methylideneamino]-2-(4-nitrophenyl)benzoate

Systemtic Name: 4-[bis(azanyl)methylideneamino]-2-(4-nitrophenyl)benzoate Openeye Name: 4-guanidino-2-(4-nitrophenyl)benzoate CAS Name: 4-(diaminomethylideneamino)-2-(4-nitrophenyl)benzoate IUPAC Name: 4-(diaminomethylideneamino)-2-(4-nitrophenyl)benzoate Traditional Name: 4-guanidino-2-(4-nitrophenyl)benzoate Formula: C14H11N4O4- MolecularWeight: 299.26154

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC=C1C2=C(C=CC(=C2)N=C(N)N)C(=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC=C1C2=C(C=CC(=C2)N=C(N)N)C(=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C14H12N4O4/c15-14(16)17-9-3-6-11(13(19)20)12(7-9)8-1-4-10(5-2-8)18(21)22/h1-7H,(H,19,20)(H4,15,16,17)/p-1