(E)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile

Systemtic Name: (E)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-(3-nitrophenyl)carbonyl-prop-2-enenitrile Openeye Name: (E)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-(3-nitrobenzoyl)prop-2-enenitrile CAS Name: (E)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-[(3-nitrophenyl)-oxomethyl]-2-propenenitrile IUPAC Name: (E)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-(3-nitrobenzoyl)prop-2-enenitrile Traditional Name: (E)-3-(5-methoxy-2-phenyl-1H-indol-3-yl)-2-(3-nitrobenzoyl)acrylonitrile Formula: C25H17N3O4 MolecularWeight: 423.42018

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC2=C(C=C1)NC(=C2C=C(C#N)C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

Isomeric SMILES

COC1=CC2=C(C=C1)NC(=C2/C=C(\C#N)/C(=O)C3=CC(=CC=C3)[N+](=O)[O-])C4=CC=CC=C4

InChI

InChI=1S/C25H17N3O4/c1-32-20-10-11-23-21(14-20)22(24(27-23)16-6-3-2-4-7-16)13-18(15-26)25(29)17-8-5-9-19(12-17)28(30)31/h2-14,27H,1H3/b18-13+