2-chloranyl-5-nitro-benzoic acid; 5,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 5,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine Openeye Name: 2-chloro-5-nitro-benzoic acid; 5,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine CAS Name: 2-chloro-5-nitrobenzoic acid; 5,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine IUPAC Name: 2-chloro-5-nitrobenzoic acid; 5,8-dimethyl-1,2,3,4-tetrahydroacridin-9-amine Traditional Name: 2-chloro-5-nitro-benzoic acid; (5,8-dimethyl-1,2,3,4-tetrahydroacridin-9-yl)amine Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C2C(=C3CCCCC3=NC2=C(C=C1)C)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC1=C2C(=C3CCCCC3=NC2=C(C=C1)C)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C15H18N2.C7H4ClNO4/c1-9-7-8-10(2)15-13(9)14(16)11-5-3-4-6-12(11)17-15;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h7-8H,3-6H2,1-2H3,(H2,16,17);1-3H,(H,10,11)