2-(3-methoxycarbonyl-1-methyl-4-nitro-indol-2-yl)prop-2-enoic acid

Systemtic Name: 2-(3-methoxycarbonyl-1-methyl-4-nitro-indol-2-yl)prop-2-enoic acid Openeye Name: 2-(3-methoxycarbonyl-1-methyl-4-nitro-indol-2-yl)prop-2-enoic acid CAS Name: 2-(3-methoxycarbonyl-1-methyl-4-nitro-2-indolyl)-2-propenoic acid IUPAC Name: 2-(3-methoxycarbonyl-1-methyl-4-nitroindol-2-yl)prop-2-enoic acid Traditional Name: 2-(3-carbomethoxy-1-methyl-4-nitro-indol-2-yl)acrylic acid Formula: C14H12N2O6 MolecularWeight: 304.25488

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=C1C(=C)C(=O)O)C(=O)OC

Isomeric SMILES

CN1C2=C(C(=CC=C2)[N+](=O)[O-])C(=C1C(=C)C(=O)O)C(=O)OC

InChI

InChI=1S/C14H12N2O6/c1-7(13(17)18)12-11(14(19)22-3)10-8(15(12)2)5-4-6-9(10)16(20)21/h4-6H,1H2,2-3H3,(H,17,18)