2-azanyl-6-chloranyl-4-nitro-phenol; 4-(ethylamino)-3-nitro-benzoic acid

Systemtic Name: 2-azanyl-6-chloranyl-4-nitro-phenol; 4-(ethylamino)-3-nitro-benzoic acid Openeye Name: 2-amino-6-chloro-4-nitro-phenol; 4-(ethylamino)-3-nitro-benzoic acid CAS Name: 2-amino-6-chloro-4-nitrophenol; 4-(ethylamino)-3-nitrobenzoic acid IUPAC Name: 2-amino-6-chloro-4-nitrophenol; 4-(ethylamino)-3-nitrobenzoic acid Traditional Name: 2-amino-6-chloro-4-nitro-phenol; 4-(ethylamino)-3-nitro-benzoic acid Formula: C15H15ClN4O7 MolecularWeight: 398.7552

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

CCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].C1=C(C=C(C(=C1Cl)O)N)[N+](=O)[O-]

Isomeric SMILES

CCNC1=C(C=C(C=C1)C(=O)O)[N+](=O)[O-].C1=C(C=C(C(=C1Cl)O)N)[N+](=O)[O-]

InChI

InChI=1S/C9H10N2O4.C6H5ClN2O3/c1-2-10-7-4-3-6(9(12)13)5-8(7)11(14)15;7-4-1-3(9(11)12)2-5(8)6(4)10/h3-5,10H,2H2,1H3,(H,12,13);1-2,10H,8H2