2-chloranyl-5-nitro-benzoic acid; 2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine Openeye Name: 2-chloro-5-nitro-benzoic acid; 2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine CAS Name: 2-chloro-5-nitrobenzoic acid; 2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine IUPAC Name: 2-chloro-5-nitrobenzoic acid; 2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-amine Traditional Name: 2-chloro-5-nitro-benzoic acid; (2-methyl-7,8,9,10-tetrahydro-6H-cyclohepta[b]quinolin-11-yl)amine Formula: C22H22ClN3O4 MolecularWeight: 427.88078

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)N=C3CCCCCC3=C2N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC1=CC2=C(C=C1)N=C3CCCCCC3=C2N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

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