N'-[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide

Systemtic Name: N'-[6-[(3-bromophenyl)amino]-5-nitro-pyrimidin-4-yl]-4-chloranyl-3-nitro-benzohydrazide Openeye Name: N'-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide CAS Name: N'-[6-(3-bromoanilino)-5-nitro-4-pyrimidinyl]-4-chloro-3-nitrobenzohydrazide IUPAC Name: N'-[6-(3-bromoanilino)-5-nitropyrimidin-4-yl]-4-chloro-3-nitrobenzohydrazide Traditional Name: N'-[6-(3-bromoanilino)-5-nitro-pyrimidin-4-yl]-4-chloro-3-nitro-benzohydrazide Formula: C17H11BrClN7O5 MolecularWeight: 508.67014

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=CC(=C1)Br)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

C1=CC(=CC(=C1)Br)NC2=C(C(=NC=N2)NNC(=O)C3=CC(=C(C=C3)Cl)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C17H11BrClN7O5/c18-10-2-1-3-11(7-10)22-15-14(26(30)31)16(21-8-20-15)23-24-17(27)9-4-5-12(19)13(6-9)25(28)29/h1-8H,(H,24,27)(H2,20,21,22,23)