methyl 3-methoxy-4-[[5-nitro-1-[(E)-3-pyridin-2-ylprop-2-enyl]indol-3-yl]methyl]benzoate

Systemtic Name: methyl 3-methoxy-4-[[5-nitro-1-[(E)-3-pyridin-2-ylprop-2-enyl]indol-3-yl]methyl]benzoate Openeye Name: methyl 3-methoxy-4-[[5-nitro-1-[(E)-3-(2-pyridyl)allyl]indol-3-yl]methyl]benzoate CAS Name: 3-methoxy-4-[[5-nitro-1-[(E)-3-(2-pyridinyl)prop-2-enyl]-3-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[[5-nitro-1-[(E)-3-pyridin-2-ylprop-2-enyl]indol-3-yl]methyl]benzoate Traditional Name: 3-methoxy-4-[[5-nitro-1-[(E)-3-(2-pyridyl)allyl]indol-3-yl]methyl]benzoic acid methyl ester Formula: C26H23N3O5 MolecularWeight: 457.47792

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])CC=CC4=CC=CC=N4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C/C=C/C4=CC=CC=N4

InChI

InChI=1S/C26H23N3O5/c1-33-25-15-19(26(30)34-2)9-8-18(25)14-20-17-28(13-5-7-21-6-3-4-12-27-21)24-11-10-22(29(31)32)16-23(20)24/h3-12,15-17H,13-14H2,1-2H3/b7-5+