methyl (E)-3-[(1S,2S)-3-azanylidene-1-cyano-1-phenyl-2H-inden-2-yl]prop-2-enoate

Systemtic Name: methyl (E)-3-[(1S,2S)-3-azanylidene-1-cyano-1-phenyl-2H-inden-2-yl]prop-2-enoate Openeye Name: methyl (E)-3-[(1S,2S)-1-cyano-3-imino-1-phenyl-indan-2-yl]prop-2-enoate CAS Name: (E)-3-[(1S,2S)-1-cyano-3-imino-1-phenyl-2H-inden-2-yl]-2-propenoic acid methyl ester IUPAC Name: methyl (E)-3-[(1S,2S)-1-cyano-3-imino-1-phenyl-2H-inden-2-yl]prop-2-enoate Traditional Name: (E)-3-[(1S,2S)-1-cyano-3-imino-1-phenyl-indan-2-yl]acrylic acid methyl ester Formula: C20H16N2O2 MolecularWeight: 316.35324

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Descriptors Computed from Structure

Canonical SMILES:

COC(=O)C=CC1C(=N)C2=CC=CC=C2C1(C#N)C3=CC=CC=C3

Isomeric SMILES

COC(=O)/C=C/[C@@H]1C(=N)C2=CC=CC=C2[C@@]1(C#N)C3=CC=CC=C3

InChI

InChI=1S/C20H16N2O2/c1-24-18(23)12-11-17-19(22)15-9-5-6-10-16(15)20(17,13-21)14-7-3-2-4-8-14/h2-12,17,22H,1H3/b12-11+,22-19?/t17-,20-/m1/s1