ethyl 4-[[(2Z)-3-[(6-chloranylpyridin-3-yl)methyl]-2-nitroimino-imidazolidin-1-yl]methylideneamino]benzoate

Systemtic Name: ethyl 4-[[(2Z)-3-[(6-chloranylpyridin-3-yl)methyl]-2-nitroimino-imidazolidin-1-yl]methylideneamino]benzoate Openeye Name: ethyl 4-[[(2Z)-3-[(6-chloro-3-pyridyl)methyl]-2-nitroimino-imidazolidin-1-yl]methyleneamino]benzoate CAS Name: 4-[[(2Z)-3-[(6-chloro-3-pyridinyl)methyl]-2-nitroimino-1-imidazolidinyl]methylideneamino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[[(2Z)-3-[(6-chloropyridin-3-yl)methyl]-2-nitroiminoimidazolidin-1-yl]methylideneamino]benzoate Traditional Name: 4-[[(2Z)-3-[(6-chloro-3-pyridyl)methyl]-2-nitroimino-imidazolidin-1-yl]methyleneamino]benzoic acid ethyl ester Formula: C19H19ClN6O4 MolecularWeight: 430.84496

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)N=CN2CCN(C2=N[N+](=O)[O-])CC3=CN=C(C=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)N=CN\2CCN(/C2=N/[N+](=O)[O-])CC3=CN=C(C=C3)Cl

InChI

InChI=1S/C19H19ClN6O4/c1-2-30-18(27)15-4-6-16(7-5-15)22-13-25-10-9-24(19(25)23-26(28)29)12-14-3-8-17(20)21-11-14/h3-8,11,13H,2,9-10,12H2,1H3/b22-13?,23-19-