methyl 2-chloranyl-5-[[4-[(3-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate

Systemtic Name: methyl 2-chloranyl-5-[[4-[(3-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate Openeye Name: methyl 2-chloro-5-[[4-(3-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoate CAS Name: 2-chloro-5-[[4-(3-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-chloro-5-[[4-(3-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoate Traditional Name: 2-chloro-5-[[4-(m-anisidino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid methyl ester Formula: C20H18ClN5O5 MolecularWeight: 443.84042

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)C(=O)OC)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

Isomeric SMILES

CC1=C(C(=NC(=N1)NC2=CC(=C(C=C2)Cl)C(=O)OC)NC3=CC(=CC=C3)OC)[N+](=O)[O-]

InChI

InChI=1S/C20H18ClN5O5/c1-11-17(26(28)29)18(23-12-5-4-6-14(9-12)30-2)25-20(22-11)24-13-7-8-16(21)15(10-13)19(27)31-3/h4-10H,1-3H3,(H2,22,23,24,25)