(4-heptoxyphenyl) 2-azanyl-5-nitro-4-octoxy-benzoate

Systemtic Name: (4-heptoxyphenyl) 2-azanyl-5-nitro-4-octoxy-benzoate Openeye Name: (4-heptoxyphenyl) 2-amino-5-nitro-4-octoxy-benzoate CAS Name: 2-amino-5-nitro-4-octoxybenzoic acid (4-heptoxyphenyl) ester IUPAC Name: (4-heptoxyphenyl) 2-amino-5-nitro-4-octoxybenzoate Traditional Name: 2-amino-5-nitro-4-octoxy-benzoic acid (4-heptoxyphenyl) ester Formula: C28H40N2O6 MolecularWeight: 500.627

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Descriptors Computed from Structure

Canonical SMILES:

CCCCCCCCOC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)OCCCCCCC)[N+](=O)[O-]

Isomeric SMILES

CCCCCCCCOC1=C(C=C(C(=C1)N)C(=O)OC2=CC=C(C=C2)OCCCCCCC)[N+](=O)[O-]

InChI

InChI=1S/C28H40N2O6/c1-3-5-7-9-11-13-19-35-27-21-25(29)24(20-26(27)30(32)33)28(31)36-23-16-14-22(15-17-23)34-18-12-10-8-6-4-2/h14-17,20-21H,3-13,18-19,29H2,1-2H3