3-[3-[[[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-nitro-phenyl]amino]methyl]phenyl]benzenecarboximidamide

Systemtic Name: 3-[3-[[[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-nitro-phenyl]amino]methyl]phenyl]benzenecarboximidamide Openeye Name: 3-[3-[[4-[(1-ethanimidoyl-4-piperidyl)oxy]-3-nitro-anilino]methyl]phenyl]benzamidine CAS Name: 3-[3-[[4-[[1-(1-iminoethyl)-4-piperidinyl]oxy]-3-nitroanilino]methyl]phenyl]benzenecarboximidamide IUPAC Name: 3-[3-[[4-(1-ethanimidoylpiperidin-4-yl)oxy-3-nitroanilino]methyl]phenyl]benzenecarboximidamide Traditional Name: 3-[3-[[4-[(1-acetimidoyl-4-piperidyl)oxy]-3-nitro-anilino]methyl]phenyl]benzamidine Formula: C27H30N6O3 MolecularWeight: 486.5655

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Descriptors Computed from Structure

Canonical SMILES:

CC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)NCC3=CC=CC(=C3)C4=CC(=CC=C4)C(=N)N)[N+](=O)[O-]

Isomeric SMILES

CC(=N)N1CCC(CC1)OC2=C(C=C(C=C2)NCC3=CC=CC(=C3)C4=CC(=CC=C4)C(=N)N)[N+](=O)[O-]

InChI

InChI=1S/C27H30N6O3/c1-18(28)32-12-10-24(11-13-32)36-26-9-8-23(16-25(26)33(34)35)31-17-19-4-2-5-20(14-19)21-6-3-7-22(15-21)27(29)30/h2-9,14-16,24,28,31H,10-13,17H2,1H3,(H3,29,30)