methyl 3-[[3-[(E)-2-nitroethenyl]indol-1-yl]methyl]benzoate

Systemtic Name: methyl 3-[[3-[(E)-2-nitroethenyl]indol-1-yl]methyl]benzoate Openeye Name: methyl 3-[[3-[(E)-2-nitrovinyl]indol-1-yl]methyl]benzoate CAS Name: 3-[[3-[(E)-2-nitroethenyl]-1-indolyl]methyl]benzoic acid methyl ester IUPAC Name: methyl 3-[[3-[(E)-2-nitroethenyl]indol-1-yl]methyl]benzoate Traditional Name: 3-[[3-[(E)-2-nitrovinyl]indol-1-yl]methyl]benzoic acid methyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)C=C[N+](=O)[O-]

Isomeric SMILES

COC(=O)C1=CC(=CC=C1)CN2C=C(C3=CC=CC=C32)/C=C/[N+](=O)[O-]

InChI

InChI=1S/C19H16N2O4/c1-25-19(22)15-6-4-5-14(11-15)12-20-13-16(9-10-21(23)24)17-7-2-3-8-18(17)20/h2-11,13H,12H2,1H3/b10-9+