5-[3-[(4-methylphenyl)amino]-4-nitro-phenoxy]pentanoic acid

Systemtic Name: 5-[3-[(4-methylphenyl)amino]-4-nitro-phenoxy]pentanoic acid Openeye Name: 5-[3-(4-methylanilino)-4-nitro-phenoxy]pentanoic acid CAS Name: 5-[3-(4-methylanilino)-4-nitrophenoxy]pentanoic acid IUPAC Name: 5-[3-(4-methylanilino)-4-nitrophenoxy]pentanoic acid Traditional Name: 5-[4-nitro-3-(p-toluidino)phenoxy]valeric acid Formula: C18H20N2O5 MolecularWeight: 344.3618

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)NC2=C(C=CC(=C2)OCCCCC(=O)O)[N+](=O)[O-]

Isomeric SMILES

CC1=CC=C(C=C1)NC2=C(C=CC(=C2)OCCCCC(=O)O)[N+](=O)[O-]

InChI

InChI=1S/C18H20N2O5/c1-13-5-7-14(8-6-13)19-16-12-15(9-10-17(16)20(23)24)25-11-3-2-4-18(21)22/h5-10,12,19H,2-4,11H2,1H3,(H,21,22)