3-[[2-[(3,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoic acid

Systemtic Name: 3-[[2-[(3,4-dichlorophenyl)amino]-5-nitro-pyrimidin-4-yl]amino]propanoic acid Openeye Name: 3-[[2-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]propanoic acid CAS Name: 3-[[2-(3,4-dichloroanilino)-5-nitro-4-pyrimidinyl]amino]propanoic acid IUPAC Name: 3-[[2-(3,4-dichloroanilino)-5-nitropyrimidin-4-yl]amino]propanoic acid Traditional Name: 3-[[2-(3,4-dichloroanilino)-5-nitro-pyrimidin-4-yl]amino]propionic acid Formula: C13H11Cl2N5O4 MolecularWeight: 372.16354

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1NC2=NC=C(C(=N2)NCCC(=O)O)[N+](=O)[O-])Cl)Cl

Isomeric SMILES

C1=CC(=C(C=C1NC2=NC=C(C(=N2)NCCC(=O)O)[N+](=O)[O-])Cl)Cl

InChI

InChI=1S/C13H11Cl2N5O4/c14-8-2-1-7(5-9(8)15)18-13-17-6-10(20(23)24)12(19-13)16-4-3-11(21)22/h1-2,5-6H,3-4H2,(H,21,22)(H2,16,17,18,19)