N-[(E)-[4-[3-(5-methyl-2-propan-2-yl-phenoxy)propoxy]phenyl]methylideneamino]-4-nitro-aniline

Systemtic Name: N-[(E)-[4-[3-(5-methyl-2-propan-2-yl-phenoxy)propoxy]phenyl]methylideneamino]-4-nitro-aniline Openeye Name: N-[(E)-[4-[3-(2-isopropyl-5-methyl-phenoxy)propoxy]phenyl]methyleneamino]-4-nitro-aniline CAS Name: N-[(E)-[4-[3-(5-methyl-2-propan-2-ylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline IUPAC Name: N-[(E)-[4-[3-(5-methyl-2-propan-2-ylphenoxy)propoxy]phenyl]methylideneamino]-4-nitroaniline Traditional Name: [(E)-[4-[3-(2-isopropyl-5-methyl-phenoxy)propoxy]benzylidene]amino]-(4-nitrophenyl)amine Formula: C26H29N3O4 MolecularWeight: 447.52616

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C=C1)C(C)C)OCCCOC2=CC=C(C=C2)C=NNC3=CC=C(C=C3)[N+](=O)[O-]

Isomeric SMILES

CC1=CC(=C(C=C1)C(C)C)OCCCOC2=CC=C(C=C2)/C=N/NC3=CC=C(C=C3)[N+](=O)[O-]

InChI

InChI=1S/C26H29N3O4/c1-19(2)25-14-5-20(3)17-26(25)33-16-4-15-32-24-12-6-21(7-13-24)18-27-28-22-8-10-23(11-9-22)29(30)31/h5-14,17-19,28H,4,15-16H2,1-3H3/b27-18+