2-chloranyl-5-nitro-benzoic acid; 2-ethyl-3-methyl-quinolin-4-amine

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 2-ethyl-3-methyl-quinolin-4-amine Openeye Name: 2-chloro-5-nitro-benzoic acid; 2-ethyl-3-methyl-quinolin-4-amine CAS Name: 2-chloro-5-nitrobenzoic acid; 2-ethyl-3-methyl-4-quinolinamine IUPAC Name: 2-chloro-5-nitrobenzoic acid; 2-ethyl-3-methylquinolin-4-amine Traditional Name: 2-chloro-5-nitro-benzoic acid; (2-ethyl-3-methyl-4-quinolyl)amine Formula: C19H18ClN3O4 MolecularWeight: 387.81692

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Descriptors Computed from Structure

Canonical SMILES:

CCC1=NC2=CC=CC=C2C(=C1C)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CCC1=NC2=CC=CC=C2C(=C1C)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C12H14N2.C7H4ClNO4/c1-3-10-8(2)12(13)9-6-4-5-7-11(9)14-10;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h4-7H,3H2,1-2H3,(H2,13,14);1-3H,(H,10,11)