3-nitro-5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine

Systemtic Name: 3-nitro-5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine Openeye Name: 3-nitro-5-(3-nitrophenyl)-N-(3-pyridylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine CAS Name: 3-nitro-5-(3-nitrophenyl)-N-(3-pyridinylmethyl)-7-pyrazolo[1,5-a]pyrimidinamine IUPAC Name: 3-nitro-5-(3-nitrophenyl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine Traditional Name: [3-nitro-5-(3-nitrophenyl)pyrazolo[1,5-a]pyrimidin-7-yl]-(3-pyridylmethyl)amine Formula: C18H13N7O4 MolecularWeight: 391.34032

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)[N+](=O)[O-])C2=NC3=C(C=NN3C(=C2)NCC4=CN=CC=C4)[N+](=O)[O-]

InChI

InChI=1S/C18H13N7O4/c26-24(27)14-5-1-4-13(7-14)15-8-17(20-10-12-3-2-6-19-9-12)23-18(22-15)16(11-21-23)25(28)29/h1-9,11,20H,10H2