ethyl 4-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]benzoate

Systemtic Name: ethyl 4-[(6-chloranyl-5-nitro-pyrimidin-4-yl)amino]benzoate Openeye Name: ethyl 4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]benzoate CAS Name: 4-[(6-chloro-5-nitro-4-pyrimidinyl)amino]benzoic acid ethyl ester IUPAC Name: ethyl 4-[(6-chloro-5-nitropyrimidin-4-yl)amino]benzoate Traditional Name: 4-[(6-chloro-5-nitro-pyrimidin-4-yl)amino]benzoic acid ethyl ester Formula: C13H11ClN4O4 MolecularWeight: 322.70384

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC=C(C=C1)NC2=C(C(=NC=N2)Cl)[N+](=O)[O-]

InChI

InChI=1S/C13H11ClN4O4/c1-2-22-13(19)8-3-5-9(6-4-8)17-12-10(18(20)21)11(14)15-7-16-12/h3-7H,2H2,1H3,(H,15,16,17)