2-chloranyl-5-nitro-benzoic acid; 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine

Systemtic Name: 2-chloranyl-5-nitro-benzoic acid; 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine Openeye Name: 2-chloro-5-nitro-benzoic acid; 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine CAS Name: 2-chloro-5-nitrobenzoic acid; 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine IUPAC Name: 2-chloro-5-nitrobenzoic acid; 1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-amine Traditional Name: 2-chloro-5-nitro-benzoic acid; (1,6-dimethyl-2,3-dihydropyrrolo[2,3-b]pyridin-4-yl)amine Formula: C16H17ClN4O4 MolecularWeight: 364.78358

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CC1=NC2=C(CCN2C)C(=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

Isomeric SMILES

CC1=NC2=C(CCN2C)C(=C1)N.C1=CC(=C(C=C1[N+](=O)[O-])C(=O)O)Cl

InChI

InChI=1S/C9H13N3.C7H4ClNO4/c1-6-5-8(10)7-3-4-12(2)9(7)11-6;8-6-2-1-4(9(12)13)3-5(6)7(10)11/h5H,3-4H2,1-2H3,(H2,10,11);1-3H,(H,10,11)