2-chloranyl-5-nitro-benzoic acid; 5-methyl-1,2,3,4-tetrahydroacridin-9-amine

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 5-methyl-1,2,3,4-tetrahydroacridin-9-amine Openeye Name: 2-chloro-5-nitro-benzoic acid; 5-methyl-1,2,3,4-tetrahydroacridin-9-amine CAS Name: 2-chloro-5-nitrobenzoic acid; 5-methyl-1,2,3,4-tetrahydroacridin-9-amine IUPAC Name: 2-chloro-5-nitrobenzoic acid; 5-methyl-1,2,3,4-tetrahydroacridin-9-amine Traditional Name: 2-chloro-5-nitro-benzoic acid; (5-methyl-1,2,3,4-tetrahydroacridin-9-yl)amine Formula: C21H20ClN3O4 MolecularWeight: 413.8542

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=CC2=C1N=C3CCCCC3=C2N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC1=CC=CC2=C1N=C3CCCCC3=C2N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C14H16N2.C7H4ClNO4/c1-9-5-4-7-11-13(15)10-6-2-3-8-12(10)16-14(9)11;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h4-5,7H,2-3,6,8H2,1H3,(H2,15,16);1-3H,(H,10,11)