ethyl 4-[(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]benzoate

Systemtic Name: ethyl 4-[(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]benzoate Openeye Name: ethyl 4-[(2-nitramido-4,5-dihydroimidazol-1-yl)methyleneamino]benzoate CAS Name: 4-[(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(2-nitramido-4,5-dihydroimidazol-1-yl)methylideneamino]benzoate Traditional Name: 4-[(2-nitramido-2-imidazolin-1-yl)methyleneamino]benzoic acid ethyl ester Formula: C13H15N5O4 MolecularWeight: 305.2893

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=CN2CCN=C2N[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=CN2CCN=C2N[N+](=O)[O-]

InChI

InChI=1S/C13H15N5O4/c1-2-22-12(19)10-3-5-11(6-4-10)15-9-17-8-7-14-13(17)16-18(20)21/h3-6,9H,2,7-8H2,1H3,(H,14,16)