methyl 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate

Systemtic Name: methyl 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate Openeye Name: methyl 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoate CAS Name: 3-[[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]amino]-oxomethyl]-5-nitrobenzoic acid methyl ester IUPAC Name: methyl 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methylpropyl]carbamoyl]-5-nitrobenzoate Traditional Name: 3-[[(1R)-1-(2,3-dihydro-1,4-benzodioxin-6-yl)-2-methyl-propyl]carbamoyl]-5-nitro-benzoic acid methyl ester Formula: C21H22N2O7 MolecularWeight: 414.40858

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)C(C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

Isomeric SMILES

CC(C)[C@H](C1=CC2=C(C=C1)OCCO2)NC(=O)C3=CC(=CC(=C3)[N+](=O)[O-])C(=O)OC

InChI

InChI=1S/C21H22N2O7/c1-12(2)19(13-4-5-17-18(11-13)30-7-6-29-17)22-20(24)14-8-15(21(25)28-3)10-16(9-14)23(26)27/h4-5,8-12,19H,6-7H2,1-3H3,(H,22,24)/t19-/m1/s1