4-chloranyl-N-[2-ethyl-1-[[(E)-2-nitro-1-(pyridin-3-ylamino)ethenyl]amino]butyl]benzamide

Systemtic Name: 4-chloranyl-N-[2-ethyl-1-[[(E)-2-nitro-1-(pyridin-3-ylamino)ethenyl]amino]butyl]benzamide Openeye Name: 4-chloro-N-[2-ethyl-1-[[(E)-2-nitro-1-(3-pyridylamino)vinyl]amino]butyl]benzamide CAS Name: 4-chloro-N-[2-ethyl-1-[[(E)-2-nitro-1-(3-pyridinylamino)ethenyl]amino]butyl]benzamide IUPAC Name: 4-chloro-N-[2-ethyl-1-[[(E)-2-nitro-1-(pyridin-3-ylamino)ethenyl]amino]butyl]benzamide Traditional Name: 4-chloro-N-[2-ethyl-1-[[(E)-2-nitro-1-(3-pyridylamino)vinyl]amino]butyl]benzamide Formula: C20H24ClN5O3 MolecularWeight: 417.88926

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Descriptors Computed from Structure

Canonical SMILES:

CCC(CC)C(NC(=C[N+](=O)[O-])NC1=CN=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

Isomeric SMILES

CCC(CC)C(N/C(=C/[N+](=O)[O-])/NC1=CN=CC=C1)NC(=O)C2=CC=C(C=C2)Cl

InChI

InChI=1S/C20H24ClN5O3/c1-3-14(4-2)19(25-20(27)15-7-9-16(21)10-8-15)24-18(13-26(28)29)23-17-6-5-11-22-12-17/h5-14,19,23-24H,3-4H2,1-2H3,(H,25,27)/b18-13+