carboxy-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-(4-hydroxyphenyl)-methyl-azanium

Systemtic Name: carboxy-[2-[(4-chlorophenyl)amino]-5-nitro-pyrimidin-4-yl]-(4-hydroxyphenyl)-methyl-azanium Openeye Name: carboxy-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(4-hydroxyphenyl)-methyl-ammonium CAS Name: carboxy-[2-(4-chloroanilino)-5-nitro-4-pyrimidinyl]-(4-hydroxyphenyl)-methylammonium IUPAC Name: carboxy-[2-(4-chloroanilino)-5-nitropyrimidin-4-yl]-(4-hydroxyphenyl)-methylazanium Traditional Name: carboxy-[2-(4-chloroanilino)-5-nitro-pyrimidin-4-yl]-(4-hydroxyphenyl)-methyl-ammonium Formula: C18H15ClN5O5+ MolecularWeight: 416.7952

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C18H14ClN5O5/c1-24(18(26)27,13-6-8-14(25)9-7-13)16-15(23(28)29)10-20-17(22-16)21-12-4-2-11(19)3-5-12/h2-10H,1H3,(H2-,20,21,22,25,26,27)/p+1