ethyl 3-[[6-[methyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate

Systemtic Name: ethyl 3-[[6-[methyl(phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: ethyl 3-[[6-(N-methylanilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 3-[[6-(N-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid ethyl ester IUPAC Name: ethyl 3-[[6-(N-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 3-[[6-(N-methylanilino)-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=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CCOC(=O)C1=CC(=CC=C1)NC2=C(C(=NC=N2)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

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