(E)-N-(2-chloranyl-5-nitro-phenyl)-2-cyano-3-(1-propan-2-ylindol-3-yl)prop-2-enamide

Systemtic Name: (E)-N-(2-chloranyl-5-nitro-phenyl)-2-cyano-3-(1-propan-2-ylindol-3-yl)prop-2-enamide Openeye Name: (E)-N-(2-chloro-5-nitro-phenyl)-2-cyano-3-(1-isopropylindol-3-yl)prop-2-enamide CAS Name: (E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(1-propan-2-yl-3-indolyl)-2-propenamide IUPAC Name: (E)-N-(2-chloro-5-nitrophenyl)-2-cyano-3-(1-propan-2-ylindol-3-yl)prop-2-enamide Traditional Name: (E)-N-(2-chloro-5-nitro-phenyl)-2-cyano-3-(1-isopropylindol-3-yl)acrylamide Formula: C21H17ClN4O3 MolecularWeight: 408.83768

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)N1C=C(C2=CC=CC=C21)C=C(C#N)C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

Isomeric SMILES

CC(C)N1C=C(C2=CC=CC=C21)/C=C(\C#N)/C(=O)NC3=C(C=CC(=C3)[N+](=O)[O-])Cl

InChI

InChI=1S/C21H17ClN4O3/c1-13(2)25-12-15(17-5-3-4-6-20(17)25)9-14(11-23)21(27)24-19-10-16(26(28)29)7-8-18(19)22/h3-10,12-13H,1-2H3,(H,24,27)/b14-9+