1-[4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone

Systemtic Name: 1-[4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Openeye Name: 1-[4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone CAS Name: 1-[4-[[6-(1-benzotriazolyl)-5-nitro-4-pyrimidinyl]amino]phenyl]ethanone IUPAC Name: 1-[4-[[6-(benzotriazol-1-yl)-5-nitropyrimidin-4-yl]amino]phenyl]ethanone Traditional Name: 1-[4-[[6-(benzotriazol-1-yl)-5-nitro-pyrimidin-4-yl]amino]phenyl]ethanone Formula: C18H13N7O3 MolecularWeight: 375.34092

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

Isomeric SMILES

CC(=O)C1=CC=C(C=C1)NC2=NC=NC(=C2[N+](=O)[O-])N3C4=CC=CC=C4N=N3

InChI

InChI=1S/C18H13N7O3/c1-11(26)12-6-8-13(9-7-12)21-17-16(25(27)28)18(20-10-19-17)24-15-5-3-2-4-14(15)22-23-24/h2-10H,1H3,(H,19,20,21)