[4-(5-decyl-1,3-dioxan-2-yl)phenyl] 2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-benzoate

Systemtic Name: [4-(5-decyl-1,3-dioxan-2-yl)phenyl] 2-azanyl-5-nitro-4-[(2R)-octan-2-yl]oxy-benzoate Openeye Name: [4-(5-decyl-1,3-dioxan-2-yl)phenyl] 2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-benzoate CAS Name: 2-amino-5-nitro-4-[(2R)-octan-2-yl]oxybenzoic acid [4-(5-decyl-1,3-dioxan-2-yl)phenyl] ester IUPAC Name: [4-(5-decyl-1,3-dioxan-2-yl)phenyl] 2-amino-5-nitro-4-[(2R)-octan-2-yl]oxybenzoate Traditional Name: 2-amino-4-[(1R)-1-methylheptoxy]-5-nitro-benzoic acid [4-(5-decyl-1,3-dioxan-2-yl)phenyl] ester Formula: C35H52N2O7 MolecularWeight: 612.79658

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3N)OC(C)CCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCCCC1COC(OC1)C2=CC=C(C=C2)OC(=O)C3=CC(=C(C=C3N)O[C@H](C)CCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C35H52N2O7/c1-4-6-8-10-11-12-13-15-17-27-24-41-35(42-25-27)28-18-20-29(21-19-28)44-34(38)30-22-32(37(39)40)33(23-31(30)36)43-26(3)16-14-9-7-5-2/h18-23,26-27,35H,4-17,24-25,36H2,1-3H3/t26-,27?,35?/m1/s1