3,3-dimethyl-6-nitro-1,2-dihydroindole; 3-methylbut-2-enoic acid

Systemtic Name: 3,3-dimethyl-6-nitro-1,2-dihydroindole; 3-methylbut-2-enoic acid Openeye Name: 3,3-dimethyl-6-nitro-indoline; 3-methylbut-2-enoic acid CAS Name: 3,3-dimethyl-6-nitro-1,2-dihydroindole; 3-methyl-2-butenoic acid IUPAC Name: 3,3-dimethyl-6-nitro-1,2-dihydroindole; 3-methylbut-2-enoic acid Traditional Name: 3,3-dimethyl-6-nitro-indoline; 3-methylbut-2-enoic acid Formula: C15H20N2O4 MolecularWeight: 292.3303

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Descriptors Computed from Structure

Canonical SMILES:

CC(=CC(=O)O)C.CC1(CNC2=C1C=CC(=C2)[N+](=O)[O-])C

Isomeric SMILES

CC(=CC(=O)O)C.CC1(CNC2=C1C=CC(=C2)[N+](=O)[O-])C

InChI

InChI=1S/C10H12N2O2.C5H8O2/c1-10(2)6-11-9-5-7(12(13)14)3-4-8(9)10;1-4(2)3-5(6)7/h3-5,11H,6H2,1-2H3;3H,1-2H3,(H,6,7)