ethyl 2-[[4-(butylamino)-6-methyl-3-nitro-pyridin-2-yl]-(2-chloranyl-4-methoxy-phenyl)amino]ethanoate

Systemtic Name: ethyl 2-[[4-(butylamino)-6-methyl-3-nitro-pyridin-2-yl]-(2-chloranyl-4-methoxy-phenyl)amino]ethanoate Openeye Name: ethyl 2-(N-[4-(butylamino)-6-methyl-3-nitro-2-pyridyl]-2-chloro-4-methoxy-anilino)acetate CAS Name: 2-(N-[4-(butylamino)-6-methyl-3-nitro-2-pyridinyl]-2-chloro-4-methoxyanilino)acetic acid ethyl ester IUPAC Name: ethyl 2-(N-[4-(butylamino)-6-methyl-3-nitropyridin-2-yl]-2-chloro-4-methoxyanilino)acetate Traditional Name: 2-(N-[4-(butylamino)-6-methyl-3-nitro-2-pyridyl]-2-chloro-4-methoxy-anilino)acetic acid ethyl ester Formula: C21H27ClN4O5 MolecularWeight: 450.91588

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Descriptors Computed from Structure

Canonical SMILES:

CCCCNC1=CC(=NC(=C1[N+](=O)[O-])N(CC(=O)OCC)C2=C(C=C(C=C2)OC)Cl)C

Isomeric SMILES

CCCCNC1=CC(=NC(=C1[N+](=O)[O-])N(CC(=O)OCC)C2=C(C=C(C=C2)OC)Cl)C

InChI

InChI=1S/C21H27ClN4O5/c1-5-7-10-23-17-11-14(3)24-21(20(17)26(28)29)25(13-19(27)31-6-2)18-9-8-15(30-4)12-16(18)22/h8-9,11-12H,5-7,10,13H2,1-4H3,(H,23,24)