methyl 2-[methyl-[5-nitro-6-[2-(3-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzoate

Systemtic Name: methyl 2-[methyl-[5-nitro-6-[2-(3-nitrophenyl)carbonylhydrazinyl]pyrimidin-4-yl]amino]benzoate Openeye Name: methyl 2-[methyl-[5-nitro-6-[2-(3-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoate CAS Name: 2-[methyl-[5-nitro-6-[[(3-nitrophenyl)-oxomethyl]hydrazo]-4-pyrimidinyl]amino]benzoic acid methyl ester IUPAC Name: methyl 2-[methyl-[5-nitro-6-[2-(3-nitrobenzoyl)hydrazinyl]pyrimidin-4-yl]amino]benzoate Traditional Name: 2-[methyl-[5-nitro-6-[N'-(3-nitrobenzoyl)hydrazino]pyrimidin-4-yl]amino]benzoic acid methyl ester Formula: C20H17N7O7 MolecularWeight: 467.39168

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Descriptors Computed from Structure

Canonical SMILES:

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

Isomeric SMILES

CN(C1=CC=CC=C1C(=O)OC)C2=NC=NC(=C2[N+](=O)[O-])NNC(=O)C3=CC(=CC=C3)[N+](=O)[O-]

InChI

InChI=1S/C20H17N7O7/c1-25(15-9-4-3-8-14(15)20(29)34-2)18-16(27(32)33)17(21-11-22-18)23-24-19(28)12-6-5-7-13(10-12)26(30)31/h3-11H,1-2H3,(H,24,28)(H,21,22,23)