4-[(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid

Systemtic Name: 4-[(6-naphthalen-1-yloxy-5-nitro-pyrimidin-4-yl)amino]benzoic acid Openeye Name: 4-[[6-(1-naphthyloxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[6-(1-naphthalenyloxy)-5-nitro-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[(6-naphthalen-1-yloxy-5-nitropyrimidin-4-yl)amino]benzoic acid Traditional Name: 4-[[6-(1-naphthoxy)-5-nitro-pyrimidin-4-yl]amino]benzoic acid Formula: C21H14N4O5 MolecularWeight: 402.35966

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2OC3=NC=NC(=C3[N+](=O)[O-])NC4=CC=C(C=C4)C(=O)O

InChI

InChI=1S/C21H14N4O5/c26-21(27)14-8-10-15(11-9-14)24-19-18(25(28)29)20(23-12-22-19)30-17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,26,27)(H,22,23,24)