N-[2-[4-[(2-chlorophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitro-aniline

Systemtic Name: N-[2-[4-[(2-chlorophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitro-aniline Openeye Name: N-[2-[4-[(2-chlorophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitro-aniline CAS Name: N-[2-[4-[(2-chlorophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitroaniline IUPAC Name: N-[2-[4-[(2-chlorophenyl)methylamino]phenyl]ethyl]-4-methoxy-2-nitroaniline Traditional Name: (2-chlorobenzyl)-[4-[2-(4-methoxy-2-nitro-anilino)ethyl]phenyl]amine Formula: C22H22ClN3O3 MolecularWeight: 411.88138

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NCCC2=CC=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NCCC2=CC=C(C=C2)NCC3=CC=CC=C3Cl)[N+](=O)[O-]

InChI

InChI=1S/C22H22ClN3O3/c1-29-19-10-11-21(22(14-19)26(27)28)24-13-12-16-6-8-18(9-7-16)25-15-17-4-2-3-5-20(17)23/h2-11,14,24-25H,12-13,15H2,1H3