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

Systemtic Name: ethyl 2-[[6-[(3-methylphenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 2-[[6-(3-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(3-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 2-[[6-(3-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(m-toluidino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid ethyl ester Formula: C20H19N5O4 MolecularWeight: 393.39596

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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)C

Isomeric SMILES

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

InChI

InChI=1S/C20H19N5O4/c1-3-29-20(26)15-9-4-5-10-16(15)24-19-17(25(27)28)18(21-12-22-19)23-14-8-6-7-13(2)11-14/h4-12H,3H2,1-2H3,(H2,21,22,23,24)