methyl 3-[(E)-2-nitroethenyl]-1-(phenylmethyl)indole-4-carboxylate

Systemtic Name: methyl 3-[(E)-2-nitroethenyl]-1-(phenylmethyl)indole-4-carboxylate Openeye Name: methyl 1-benzyl-3-[(E)-2-nitrovinyl]indole-4-carboxylate CAS Name: 3-[(E)-2-nitroethenyl]-1-(phenylmethyl)-4-indolecarboxylic acid methyl ester IUPAC Name: methyl 1-benzyl-3-[(E)-2-nitroethenyl]indole-4-carboxylate Traditional Name: 1-benzyl-3-[(E)-2-nitrovinyl]indole-4-carboxylic acid methyl ester Formula: C19H16N2O4 MolecularWeight: 336.34134

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C1=C2C(=CC=C1)N(C=C2C=C[N+](=O)[O-])CC3=CC=CC=C3

Isomeric SMILES

COC(=O)C1=C2C(=CC=C1)N(C=C2/C=C/[N+](=O)[O-])CC3=CC=CC=C3

InChI

InChI=1S/C19H16N2O4/c1-25-19(22)16-8-5-9-17-18(16)15(10-11-21(23)24)13-20(17)12-14-6-3-2-4-7-14/h2-11,13H,12H2,1H3/b11-10+