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

Systemtic Name: N-[2-[2-(6-azanyl-5-nitro-pyrimidin-4-yl)hydrazinyl]-2-oxidanylidene-ethyl]benzamide Openeye Name: N-[2-[2-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-oxo-ethyl]benzamide CAS Name: N-[2-[(6-amino-5-nitro-4-pyrimidinyl)hydrazo]-2-oxoethyl]benzamide IUPAC Name: N-[2-[2-(6-amino-5-nitropyrimidin-4-yl)hydrazinyl]-2-oxoethyl]benzamide Traditional Name: N-[2-[N'-(6-amino-5-nitro-pyrimidin-4-yl)hydrazino]-2-keto-ethyl]benzamide Formula: C13H13N7O4 MolecularWeight: 331.28682

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C13H13N7O4/c14-11-10(20(23)24)12(17-7-16-11)19-18-9(21)6-15-13(22)8-4-2-1-3-5-8/h1-5,7H,6H2,(H,15,22)(H,18,21)(H3,14,16,17,19)