methyl 2-chloranyl-5-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[4-methyl-6-[methyl(phenyl)amino]-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 2-chloro-5-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 2-chloro-5-[[4-methyl-6-(N-methylanilino)-5-nitro-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[4-methyl-6-(N-methylanilino)-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 2-chloro-5-[[4-methyl-6-(N-methylanilino)-5-nitro-pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C20H18ClN5O4 MolecularWeight: 427.84102

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)C(=O)OC)N(C)C3=CC=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)C(=O)OC)N(C)C3=CC=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O4/c1-12-17(26(28)29)18(25(2)14-7-5-4-6-8-14)24-20(22-12)23-13-9-10-16(21)15(11-13)19(27)30-3/h4-11H,1-3H3,(H,22,23,24)