4-methyl-2-nitro-3-[(E)-2-pyrrolidin-1-ylethenyl]xanthen-9-one

Systemtic Name: 4-methyl-2-nitro-3-[(E)-2-pyrrolidin-1-ylethenyl]xanthen-9-one Openeye Name: 4-methyl-2-nitro-3-[(E)-2-pyrrolidin-1-ylvinyl]xanthen-9-one CAS Name: 4-methyl-2-nitro-3-[(E)-2-(1-pyrrolidinyl)ethenyl]-9-xanthenone IUPAC Name: 4-methyl-2-nitro-3-[(E)-2-pyrrolidin-1-ylethenyl]xanthen-9-one Traditional Name: 4-methyl-2-nitro-3-[(E)-2-pyrrolidinovinyl]xanthone Formula: C20H18N2O4 MolecularWeight: 350.36792

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=CC(=C1C=CN3CCCC3)[N+](=O)[O-])C(=O)C4=CC=CC=C4O2

Isomeric SMILES

CC1=C2C(=CC(=C1/C=C/N3CCCC3)[N+](=O)[O-])C(=O)C4=CC=CC=C4O2

InChI

InChI=1S/C20H18N2O4/c1-13-14(8-11-21-9-4-5-10-21)17(22(24)25)12-16-19(23)15-6-2-3-7-18(15)26-20(13)16/h2-3,6-8,11-12H,4-5,9-10H2,1H3/b11-8+