(6E)-6-[[2-[4-(azepan-1-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazinyl]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one

Systemtic Name: (6E)-6-[[2-[4-(azepan-1-yl)-6-[(4-nitrophenyl)amino]-1,3,5-triazin-2-yl]hydrazinyl]methylidene]-2-methoxy-cyclohexa-2,4-dien-1-one Openeye Name: (6E)-6-[[2-[4-(azepan-1-yl)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one CAS Name: (6E)-6-[[[4-(1-azepanyl)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazo]methylidene]-2-methoxy-1-cyclohexa-2,4-dienone IUPAC Name: (6E)-6-[[2-[4-(azepan-1-yl)-6-(4-nitroanilino)-1,3,5-triazin-2-yl]hydrazinyl]methylidene]-2-methoxycyclohexa-2,4-dien-1-one Traditional Name: (6E)-6-[[N'-[4-(azepan-1-yl)-6-(4-nitroanilino)-s-triazin-2-yl]hydrazino]methylene]-2-methoxy-cyclohexa-2,4-dien-1-one Formula: C23H26N8O4 MolecularWeight: 478.50374

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC=CC(=CNNC2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCCCCC4)C1=O

Isomeric SMILES

COC1=CC=C/C(=C\NNC2=NC(=NC(=N2)NC3=CC=C(C=C3)[N+](=O)[O-])N4CCCCCC4)/C1=O

InChI

InChI=1S/C23H26N8O4/c1-35-19-8-6-7-16(20(19)32)15-24-29-22-26-21(25-17-9-11-18(12-10-17)31(33)34)27-23(28-22)30-13-4-2-3-5-14-30/h6-12,15,24H,2-5,13-14H2,1H3,(H2,25,26,27,28,29)/b16-15+