methoxymethyl 4-[[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]amino]-3-nitro-benzoate

Systemtic Name: methoxymethyl 4-[[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)phenyl]amino]-3-nitro-benzoate Openeye Name: methoxymethyl 4-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-3-nitro-benzoate CAS Name: 4-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-3-nitrobenzoic acid methoxymethyl ester IUPAC Name: methoxymethyl 4-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-3-nitrobenzoate Traditional Name: 4-[3-(1-ethyl-3,6-dihydro-2H-pyridin-4-yl)anilino]-3-nitro-benzoic acid methoxymethyl ester Formula: C22H25N3O5 MolecularWeight: 411.451

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Descriptors Computed from Structure

Canonical SMILES:

CCN1CCC(=CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCOC)[N+](=O)[O-]

Isomeric SMILES

CCN1CCC(=CC1)C2=CC(=CC=C2)NC3=C(C=C(C=C3)C(=O)OCOC)[N+](=O)[O-]

InChI

InChI=1S/C22H25N3O5/c1-3-24-11-9-16(10-12-24)17-5-4-6-19(13-17)23-20-8-7-18(14-21(20)25(27)28)22(26)30-15-29-2/h4-9,13-14,23H,3,10-12,15H2,1-2H3