3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-phenyl-amino]propanoic acid

Systemtic Name: 3-[[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-phenyl-amino]propanoic acid Openeye Name: 3-(N-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]anilino)propanoic acid CAS Name: 3-(N-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]anilino)propanoic acid IUPAC Name: 3-(N-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]anilino)propanoic acid Traditional Name: 3-(N-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]anilino)propionic acid Formula: C19H16ClN5O4 MolecularWeight: 413.81444

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C=C1)N(CCC(=O)O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

Isomeric SMILES

C1=CC=C(C=C1)N(CCC(=O)O)C2=NC(=NC=C2[N+](=O)[O-])NC3=CC=C(C=C3)Cl

InChI

InChI=1S/C19H16ClN5O4/c20-13-6-8-14(9-7-13)22-19-21-12-16(25(28)29)18(23-19)24(11-10-17(26)27)15-4-2-1-3-5-15/h1-9,12H,10-11H2,(H,26,27)(H,21,22,23)