N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-5-bromanyl-2-chloranyl-benzamide

Systemtic Name: N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]-5-bromanyl-2-chloranyl-benzamide Openeye Name: N-[2-[2-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-oxo-ethyl]-5-bromo-2-chloro-benzamide CAS Name: N-[2-[(6-amino-5-nitro-4-pyrimidinyl)hydrazo]-2-oxoethyl]-5-bromo-2-chlorobenzamide IUPAC Name: N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]-5-bromo-2-chlorobenzamide Traditional Name: N-[2-[N'-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-keto-ethyl]-5-bromo-2-chloro-benzamide Formula: C13H11BrClN7O4 MolecularWeight: 444.62794

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC(=C(C=C1Br)C(=O)NCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N)Cl

Isomeric SMILES

C1=CC(=C(C=C1Br)C(=O)NCC(=O)NNC2=NC=NC(=C2[N+](=O)[O-])N)Cl

InChI

InChI=1S/C13H11BrClN7O4/c14-6-1-2-8(15)7(3-6)13(24)17-4-9(23)20-21-12-10(22(25)26)11(16)18-5-19-12/h1-3,5H,4H2,(H,17,24)(H,20,23)(H3,16,18,19,21)