ethyl 2-[[6-[(3-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 2-[[6-[(3-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(3-chloroanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-chloroanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(3-chloroanilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Cl

Isomeric SMILES

CCOC(=O)C1=CC=CC=C1NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC(=CC=C3)Cl

InChI

InChI=1S/C19H16ClN5O4/c1-2-29-19(26)14-8-3-4-9-15(14)24-18-16(25(27)28)17(21-11-22-18)23-13-7-5-6-12(20)10-13/h3-11H,2H2,1H3,(H2,21,22,23,24)