1-[3-(dimethylamino)propyl]-3-(diphenylmethyl)-5-nitro-indole-2-carboxylic acid

Systemtic Name: 1-[3-(dimethylamino)propyl]-3-(diphenylmethyl)-5-nitro-indole-2-carboxylic acid Openeye Name: 3-benzhydryl-1-[3-(dimethylamino)propyl]-5-nitro-indole-2-carboxylic acid CAS Name: 1-[3-(dimethylamino)propyl]-3-(diphenylmethyl)-5-nitro-2-indolecarboxylic acid IUPAC Name: 3-benzhydryl-1-[3-(dimethylamino)propyl]-5-nitroindole-2-carboxylic acid Traditional Name: 3-benzhydryl-1-[3-(dimethylamino)propyl]-5-nitro-indole-2-carboxylic acid Formula: C27H27N3O4 MolecularWeight: 457.52098

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Descriptors Computed from Structure

Canonical SMILES:

CN(C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4

Isomeric SMILES

CN(C)CCCN1C2=C(C=C(C=C2)[N+](=O)[O-])C(=C1C(=O)O)C(C3=CC=CC=C3)C4=CC=CC=C4

InChI

InChI=1S/C27H27N3O4/c1-28(2)16-9-17-29-23-15-14-21(30(33)34)18-22(23)25(26(29)27(31)32)24(19-10-5-3-6-11-19)20-12-7-4-8-13-20/h3-8,10-15,18,24H,9,16-17H2,1-2H3,(H,31,32)