(E)-2-[(7-ethyl-1H-indol-3-yl)carbonyl]-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enenitrile

Systemtic Name: (E)-2-[(7-ethyl-1H-indol-3-yl)carbonyl]-3-(3-methoxy-5-nitro-4-oxidanyl-phenyl)prop-2-enenitrile Openeye Name: (E)-2-(7-ethyl-1H-indole-3-carbonyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)prop-2-enenitrile CAS Name: (E)-2-[(7-ethyl-1H-indol-3-yl)-oxomethyl]-3-(4-hydroxy-3-methoxy-5-nitrophenyl)-2-propenenitrile IUPAC Name: (E)-2-(7-ethyl-1H-indole-3-carbonyl)-3-(4-hydroxy-3-methoxy-5-nitrophenyl)prop-2-enenitrile Traditional Name: (E)-2-(7-ethyl-1H-indole-3-carbonyl)-3-(4-hydroxy-3-methoxy-5-nitro-phenyl)acrylonitrile Formula: C21H17N3O5 MolecularWeight: 391.37678

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=CC=CC2=C1NC=C2C(=O)C(=CC3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])C#N

Isomeric SMILES

CCC1=CC=CC2=C1NC=C2C(=O)/C(=C/C3=CC(=C(C(=C3)OC)O)[N+](=O)[O-])/C#N

InChI

InChI=1S/C21H17N3O5/c1-3-13-5-4-6-15-16(11-23-19(13)15)20(25)14(10-22)7-12-8-17(24(27)28)21(26)18(9-12)29-2/h4-9,11,23,26H,3H2,1-2H3/b14-7+