N-[2-[(2-chloranyl-4,6-dinitro-phenyl)diazenyl]-4-methoxy-5-(prop-2-enylamino)phenyl]ethanamide

Systemtic Name: N-[2-[(2-chloranyl-4,6-dinitro-phenyl)diazenyl]-4-methoxy-5-(prop-2-enylamino)phenyl]ethanamide Openeye Name: N-[5-(allylamino)-2-(2-chloro-4,6-dinitro-phenyl)azo-4-methoxy-phenyl]acetamide CAS Name: N-[2-(2-chloro-4,6-dinitrophenyl)azo-4-methoxy-5-(prop-2-enylamino)phenyl]acetamide IUPAC Name: N-[2-[(2-chloro-4,6-dinitrophenyl)diazenyl]-4-methoxy-5-(prop-2-enylamino)phenyl]acetamide Traditional Name: N-[5-(allylamino)-2-(2-chloro-4,6-dinitro-phenyl)azo-4-methoxy-phenyl]acetamide Formula: C18H17ClN6O6 MolecularWeight: 448.81718

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Descriptors Computed from Structure

Canonical SMILES:

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)NCC=C

Isomeric SMILES

CC(=O)NC1=CC(=C(C=C1N=NC2=C(C=C(C=C2Cl)[N+](=O)[O-])[N+](=O)[O-])OC)NCC=C

InChI

InChI=1S/C18H17ClN6O6/c1-4-5-20-15-8-13(21-10(2)26)14(9-17(15)31-3)22-23-18-12(19)6-11(24(27)28)7-16(18)25(29)30/h4,6-9,20H,1,5H2,2-3H3,(H,21,26)