4-methoxy-2-nitro-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline

Systemtic Name: 4-methoxy-2-nitro-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline Openeye Name: 4-methoxy-2-nitro-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline CAS Name: 4-methoxy-2-nitro-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline IUPAC Name: 4-methoxy-2-nitro-N-[2-[4-[(3-nitrophenyl)methylamino]phenyl]ethyl]aniline Traditional Name: [4-[2-(4-methoxy-2-nitro-anilino)ethyl]phenyl]-(3-nitrobenzyl)amine Formula: C22H22N4O5 MolecularWeight: 422.43388

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Descriptors Computed from Structure

Canonical SMILES:

COC1=CC(=C(C=C1)NCCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

Isomeric SMILES

COC1=CC(=C(C=C1)NCCC2=CC=C(C=C2)NCC3=CC(=CC=C3)[N+](=O)[O-])[N+](=O)[O-]

InChI

InChI=1S/C22H22N4O5/c1-31-20-9-10-21(22(14-20)26(29)30)23-12-11-16-5-7-18(8-6-16)24-15-17-3-2-4-19(13-17)25(27)28/h2-10,13-14,23-24H,11-12,15H2,1H3