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

Systemtic Name: 2-chloranyl-5-[[4-[(3-methoxyphenyl)amino]-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid Openeye Name: 2-chloro-5-[[4-(3-methoxyanilino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid CAS Name: 2-chloro-5-[[4-(3-methoxyanilino)-6-methyl-5-nitro-2-pyrimidinyl]amino]benzoic acid IUPAC Name: 2-chloro-5-[[4-(3-methoxyanilino)-6-methyl-5-nitropyrimidin-2-yl]amino]benzoic acid Traditional Name: 2-chloro-5-[[4-(m-anisidino)-6-methyl-5-nitro-pyrimidin-2-yl]amino]benzoic acid Formula: C19H16ClN5O5 MolecularWeight: 429.81384

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C19H16ClN5O5/c1-10-16(25(28)29)17(22-11-4-3-5-13(8-11)30-2)24-19(21-10)23-12-6-7-15(20)14(9-12)18(26)27/h3-9H,1-2H3,(H,26,27)(H2,21,22,23,24)