(E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-N-(2-chloranyl-5-nitro-phenyl)-2-cyano-prop-2-enamide

Systemtic Name: (E)-3-[1-(2-azanyl-2-oxidanylidene-ethyl)indol-3-yl]-N-(2-chloranyl-5-nitro-phenyl)-2-cyano-prop-2-enamide Openeye Name: (E)-3-[1-(2-amino-2-oxo-ethyl)indol-3-yl]-N-(2-chloro-5-nitro-phenyl)-2-cyano-prop-2-enamide CAS Name: (E)-3-[1-(2-amino-2-oxoethyl)-3-indolyl]-N-(2-chloro-5-nitrophenyl)-2-cyano-2-propenamide IUPAC Name: (E)-3-[1-(2-amino-2-oxoethyl)indol-3-yl]-N-(2-chloro-5-nitrophenyl)-2-cyanoprop-2-enamide Traditional Name: (E)-3-[1-(2-amino-2-keto-ethyl)indol-3-yl]-N-(2-chloro-5-nitro-phenyl)-2-cyano-acrylamide Formula: C20H14ClN5O4 MolecularWeight: 423.80926

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Descriptors Computed from Structure

Canonical SMILES:

C1=CC=C2C(=C1)C(=CN2CC(=O)N)C=C(C#N)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

C1=CC=C2C(=C1)C(=CN2CC(=O)N)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C20H14ClN5O4/c21-16-6-5-14(26(29)30)8-17(16)24-20(28)12(9-22)7-13-10-25(11-19(23)27)18-4-2-1-3-15(13)18/h1-8,10H,11H2,(H2,23,27)(H,24,28)/b12-7+