4-[[5-nitro-6-[2-(2-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzoic acid

Systemtic Name: 4-[[5-nitro-6-[2-(2-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzoic acid Openeye Name: 4-[[5-nitro-6-[2-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid CAS Name: 4-[[5-nitro-6-[[(2-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid IUPAC Name: 4-[[5-nitro-6-[2-(2-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoic acid Traditional Name: 4-[[5-nitro-6-[N'-(2-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid Formula: C18H13N7O7 MolecularWeight: 439.33852

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C(C(=C1)C(=O)NNC2=NC=NC(=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H13N7O7/c26-17(12-3-1-2-4-13(12)24(29)30)23-22-16-14(25(31)32)15(19-9-20-16)21-11-7-5-10(6-8-11)18(27)28/h1-9H,(H,23,26)(H,27,28)(H2,19,20,21,22)