4-[[1-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-[2-(2-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]amino]benzenecarboximidamide

Systemtic Name: 4-[[1-(3-ethoxy-4-propan-2-yloxy-phenyl)-2-[2-(2-nitrophenyl)carbonylhydrazinyl]-2-oxidanylidene-ethyl]amino]benzenecarboximidamide Openeye Name: 4-[[1-(3-ethoxy-4-isopropoxy-phenyl)-2-[2-(2-nitrobenzoyl)hydrazino]-2-oxo-ethyl]amino]benzamidine CAS Name: 4-[[1-(3-ethoxy-4-propan-2-yloxyphenyl)-2-[[(2-nitrophenyl)-oxomethyl]hydrazo]-2-oxoethyl]amino]benzenecarboximidamide IUPAC Name: 4-[[1-(3-ethoxy-4-propan-2-yloxyphenyl)-2-[2-(2-nitrobenzoyl)hydrazinyl]-2-oxoethyl]amino]benzenecarboximidamide Traditional Name: 4-[[1-(3-ethoxy-4-isopropoxy-phenyl)-2-keto-2-[N'-(2-nitrobenzoyl)hydrazino]ethyl]amino]benzamidine Formula: C27H30N6O6 MolecularWeight: 534.5637

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=C(C=CC(=C1)C(C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=N)N)OC(C)C

Isomeric SMILES

CCOC1=C(C=CC(=C1)C(C(=O)NNC(=O)C2=CC=CC=C2[N+](=O)[O-])NC3=CC=C(C=C3)C(=N)N)OC(C)C

InChI

InChI=1S/C27H30N6O6/c1-4-38-23-15-18(11-14-22(23)39-16(2)3)24(30-19-12-9-17(10-13-19)25(28)29)27(35)32-31-26(34)20-7-5-6-8-21(20)33(36)37/h5-16,24,30H,4H2,1-3H3,(H3,28,29)(H,31,34)(H,32,35)