6-chloranyl-2-[[4-(2-diethylaminoethyloxy)phenyl]amino]-3-nitro-benzoic acid

Systemtic Name: 6-chloranyl-2-[[4-(2-diethylaminoethyloxy)phenyl]amino]-3-nitro-benzoic acid Openeye Name: 6-chloro-2-[4-(2-diethylaminoethyloxy)anilino]-3-nitro-benzoic acid CAS Name: 6-chloro-2-[4-(2-diethylaminoethyloxy)anilino]-3-nitrobenzoic acid IUPAC Name: 6-chloro-2-[4-(2-diethylaminoethyloxy)anilino]-3-nitrobenzoic acid Traditional Name: 6-chloro-2-[4-(2-diethylaminoethyloxy)anilino]-3-nitro-benzoic acid Formula: C19H22ClN3O5 MolecularWeight: 407.84808

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Descriptors Computed from Structure

Canonical SMILES:

CCN(CC)CCOC1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

Isomeric SMILES

CCN(CC)CCOC1=CC=C(C=C1)NC2=C(C=CC(=C2C(=O)O)Cl)[N+](=O)[O-]

InChI

InChI=1S/C19H22ClN3O5/c1-3-22(4-2)11-12-28-14-7-5-13(6-8-14)21-18-16(23(26)27)10-9-15(20)17(18)19(24)25/h5-10,21H,3-4,11-12H2,1-2H3,(H,24,25)