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

Systemtic Name: methyl 4-[4-[[(2-methyl-3-nitro-phenyl)-(phenylmethyl)amino]methyl]phenoxy]benzoate Openeye Name: methyl 4-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]benzoate CAS Name: 4-[4-[(2-methyl-3-nitro-N-(phenylmethyl)anilino)methyl]phenoxy]benzoic acid methyl ester IUPAC Name: methyl 4-[4-[(N-benzyl-2-methyl-3-nitroanilino)methyl]phenoxy]benzoate Traditional Name: 4-[4-[(N-benzyl-2-methyl-3-nitro-anilino)methyl]phenoxy]benzoic acid methyl ester Formula: C29H26N2O5 MolecularWeight: 482.52714

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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)C(=O)OC

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)C(=O)OC

InChI

InChI=1S/C29H26N2O5/c1-21-27(9-6-10-28(21)31(33)34)30(19-22-7-4-3-5-8-22)20-23-11-15-25(16-12-23)36-26-17-13-24(14-18-26)29(32)35-2/h3-18H,19-20H2,1-2H3