5-(2-methyl-2,3-dihydroindol-1-yl)-2-nitro-benzoic acid

Systemtic Name: 5-(2-methyl-2,3-dihydroindol-1-yl)-2-nitro-benzoic acid Openeye Name: 5-(2-methylindolin-1-yl)-2-nitro-benzoic acid CAS Name: 5-(2-methyl-2,3-dihydroindol-1-yl)-2-nitrobenzoic acid IUPAC Name: 5-(2-methyl-2,3-dihydroindol-1-yl)-2-nitrobenzoic acid Traditional Name: 5-(2-methylindolin-1-yl)-2-nitro-benzoic acid Formula: C16H14N2O4 MolecularWeight: 298.29336

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Descriptors Computed from Structure

Canonical SMILES:

CC1CC2=CC=CC=C2N1C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

Isomeric SMILES

CC1CC2=CC=CC=C2N1C3=CC(=C(C=C3)[N+](=O)[O-])C(=O)O

InChI

InChI=1S/C16H14N2O4/c1-10-8-11-4-2-3-5-14(11)17(10)12-6-7-15(18(21)22)13(9-12)16(19)20/h2-7,9-10H,8H2,1H3,(H,19,20)