(E)-2-methyl-4-[(3S)-3-[(E)-2-nitroethenyl]-2-oxidanylidene-1H-indol-3-yl]but-2-enal

Systemtic Name: (E)-2-methyl-4-[(3S)-3-[(E)-2-nitroethenyl]-2-oxidanylidene-1H-indol-3-yl]but-2-enal Openeye Name: (E)-2-methyl-4-[(3S)-3-[(E)-2-nitrovinyl]-2-oxo-indolin-3-yl]but-2-enal CAS Name: (E)-2-methyl-4-[(3S)-3-[(E)-2-nitroethenyl]-2-oxo-1H-indol-3-yl]-2-butenal IUPAC Name: (E)-2-methyl-4-[(3S)-3-[(E)-2-nitroethenyl]-2-oxo-1H-indol-3-yl]but-2-enal Traditional Name: (E)-4-[(3S)-2-keto-3-[(E)-2-nitrovinyl]indolin-3-yl]-2-methyl-but-2-enal Formula: C15H14N2O4 MolecularWeight: 286.28266

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC(=CCC1(C2=CC=CC=C2NC1=O)C=C[N+](=O)[O-])C=O

Isomeric SMILES

C/C(=C\C[C@@]1(C2=CC=CC=C2NC1=O)/C=C/[N+](=O)[O-])/C=O

InChI

InChI=1S/C15H14N2O4/c1-11(10-18)6-7-15(8-9-17(20)21)12-4-2-3-5-13(12)16-14(15)19/h2-6,8-10H,7H2,1H3,(H,16,19)/b9-8+,11-6+/t15-/m0/s1