2-chloranyl-5-nitro-benzoic acid; N2,N2-dimethylquinoline-2,4-diamine

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; N2,N2-dimethylquinoline-2,4-diamine Openeye Name: 2-chloro-5-nitro-benzoic acid; N2,N2-dimethylquinoline-2,4-diamine CAS Name: 2-chloro-5-nitrobenzoic acid; N2,N2-dimethylquinoline-2,4-diamine IUPAC Name: 2-chloro-5-nitrobenzoic acid; 2-N,2-N-dimethylquinoline-2,4-diamine Traditional Name: (4-amino-2-quinolyl)-dimethyl-amine; 2-chloro-5-nitro-benzoic acid Formula: C18H17ClN4O4 MolecularWeight: 388.80498

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Descriptors Computed from Structure

Canonical SMILES:

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

Isomeric SMILES

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

InChI

InChI=1S/C11H13N3.C7H4ClNO4/c1-14(2)11-7-9(12)8-5-3-4-6-10(8)13-11;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h3-7H,1-2H3,(H2,12,13);1-3H,(H,10,11)