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

Systemtic Name: methyl 3-methoxy-4-[[5-nitro-1-[(E)-3-quinolin-2-ylprop-2-enyl]indol-3-yl]methyl]benzoate Openeye Name: methyl 3-methoxy-4-[[5-nitro-1-[(E)-3-(2-quinolyl)allyl]indol-3-yl]methyl]benzoate CAS Name: 3-methoxy-4-[[5-nitro-1-[(E)-3-(2-quinolinyl)prop-2-enyl]-3-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-methoxy-4-[[5-nitro-1-[(E)-3-quinolin-2-ylprop-2-enyl]indol-3-yl]methyl]benzoate Traditional Name: 3-methoxy-4-[[5-nitro-1-[(E)-3-(2-quinolyl)allyl]indol-3-yl]methyl]benzoic acid methyl ester Formula: C30H25N3O5 MolecularWeight: 507.5366

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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=NC5=CC=CC=C5C=C4

Isomeric SMILES

COC1=C(C=CC(=C1)C(=O)OC)CC2=CN(C3=C2C=C(C=C3)[N+](=O)[O-])C/C=C/C4=NC5=CC=CC=C5C=C4

InChI

InChI=1S/C30H25N3O5/c1-37-29-17-22(30(34)38-2)10-9-21(29)16-23-19-32(28-14-13-25(33(35)36)18-26(23)28)15-5-7-24-12-11-20-6-3-4-8-27(20)31-24/h3-14,17-19H,15-16H2,1-2H3/b7-5+