methyl 2-[[1-(2-methylfuran-3-yl)carbonylpiperidin-4-yl]amino]-5-nitro-benzoate

Systemtic Name: methyl 2-[[1-(2-methylfuran-3-yl)carbonylpiperidin-4-yl]amino]-5-nitro-benzoate Openeye Name: methyl 2-[[1-(2-methylfuran-3-carbonyl)-4-piperidyl]amino]-5-nitro-benzoate CAS Name: 2-[[1-[(2-methyl-3-furanyl)-oxomethyl]-4-piperidinyl]amino]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 2-[[1-(2-methylfuran-3-carbonyl)piperidin-4-yl]amino]-5-nitrobenzoate Traditional Name: 2-[[1-(2-methyl-3-furoyl)-4-piperidyl]amino]-5-nitro-benzoic acid methyl ester Formula: C19H21N3O6 MolecularWeight: 387.38654

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CO1)C(=O)N2CCC(CC2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC1=C(C=CO1)C(=O)N2CCC(CC2)NC3=C(C=C(C=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C19H21N3O6/c1-12-15(7-10-28-12)18(23)21-8-5-13(6-9-21)20-17-4-3-14(22(25)26)11-16(17)19(24)27-2/h3-4,7,10-11,13,20H,5-6,8-9H2,1-2H3