4-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenol

Systemtic Name: 4-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]phenol Openeye Name: 4-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]phenol CAS Name: 4-[4-[(2-methyl-3-nitro-N-(phenylmethyl)anilino)methyl]phenoxy]phenol IUPAC Name: 4-[4-[(N-benzyl-2-methyl-3-nitroanilino)methyl]phenoxy]phenol Traditional Name: 4-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]phenol Formula: C27H24N2O4 MolecularWeight: 440.49046

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC=C1[N+](=O)[O-])N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)O

Isomeric SMILES

CC1=C(C=CC=C1[N+](=O)[O-])N(CC2=CC=CC=C2)CC3=CC=C(C=C3)OC4=CC=C(C=C4)O

InChI

InChI=1S/C27H24N2O4/c1-20-26(8-5-9-27(20)29(31)32)28(18-21-6-3-2-4-7-21)19-22-10-14-24(15-11-22)33-25-16-12-23(30)13-17-25/h2-17,30H,18-19H2,1H3