4-bromanyl-N'-[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide

Systemtic Name: 4-bromanyl-N'-[6-(naphthalen-1-ylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Openeye Name: 4-bromo-N'-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide CAS Name: 4-bromo-N'-[6-(1-naphthalenylamino)-5-nitro-4-pyrimidinyl]benzohydrazide IUPAC Name: 4-bromo-N'-[6-(naphthalen-1-ylamino)-5-nitropyrimidin-4-yl]benzohydrazide Traditional Name: 4-bromo-N'-[6-(1-naphthylamino)-5-nitro-pyrimidin-4-yl]benzohydrazide Formula: C21H15BrN6O3 MolecularWeight: 479.2862

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

Isomeric SMILES

C1=CC=C2C(=C1)C=CC=C2NC3=C(C(=NC=N3)NNC(=O)C4=CC=C(C=C4)Br)[N+](=O)[O-]

InChI

InChI=1S/C21H15BrN6O3/c22-15-10-8-14(9-11-15)21(29)27-26-20-18(28(30)31)19(23-12-24-20)25-17-7-3-5-13-4-1-2-6-16(13)17/h1-12H,(H,27,29)(H2,23,24,25,26)