(E)-3-(6-methyl-1H-indol-3-yl)-2-nitro-prop-2-enoic acid

Systemtic Name: (E)-3-(6-methyl-1H-indol-3-yl)-2-nitro-prop-2-enoic acid Openeye Name: (E)-3-(6-methyl-1H-indol-3-yl)-2-nitro-prop-2-enoic acid CAS Name: (E)-3-(6-methyl-1H-indol-3-yl)-2-nitro-2-propenoic acid IUPAC Name: (E)-3-(6-methyl-1H-indol-3-yl)-2-nitroprop-2-enoic acid Traditional Name: (E)-3-(6-methyl-1H-indol-3-yl)-2-nitro-acrylic acid Formula: C12H10N2O4 MolecularWeight: 246.2188

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)C(=CN2)C=C(C(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC2=C(C=C1)C(=CN2)/C=C(\C(=O)O)/[N+](=O)[O-]

InChI

InChI=1S/C12H10N2O4/c1-7-2-3-9-8(6-13-10(9)4-7)5-11(12(15)16)14(17)18/h2-6,13H,1H3,(H,15,16)/b11-5+