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

Systemtic Name: methyl 2-[[6-[(5-chloranyl-2-methyl-phenyl)amino]-5-nitro-pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoate CAS Name: 2-[[6-(5-chloro-2-methylanilino)-5-nitro-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[[6-(5-chloro-2-methylanilino)-5-nitropyrimidin-4-yl]amino]benzoate Traditional Name: 2-[[6-(5-chloro-2-methyl-anilino)-5-nitro-pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

Isomeric SMILES

CC1=C(C=C(C=C1)Cl)NC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=CC=C3C(=O)OC

InChI

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